ATOM 1 N MET A 1 -18.813 -9.101 -0.873 1.00 3.07 N ATOM 2 CA MET A 1 -18.046 -8.903 0.356 1.00 2.76 C ATOM 3 C MET A 1 -16.811 -8.129 0.003 1.00 2.34 C ATOM 4 O MET A 1 -16.399 -8.116 -1.160 1.00 2.38 O ATOM 5 CB MET A 1 -17.627 -10.247 1.006 1.00 2.93 C ATOM 6 CG MET A 1 -16.606 -11.046 0.193 1.00 3.33 C ATOM 7 SD MET A 1 -16.074 -12.578 0.990 1.00 4.18 S ATOM 8 CE MET A 1 -14.857 -13.148 -0.211 1.00 4.50 C ATOM 9 H1 MET A 1 -19.673 -9.671 -0.733 1.00 3.22 H ATOM 10 H2 MET A 1 -18.221 -9.527 -1.617 1.00 3.51 H ATOM 11 H3 MET A 1 -19.091 -8.158 -1.220 1.00 3.36 H ATOM 12 HA MET A 1 -18.643 -8.327 1.048 1.00 3.37 H ATOM 13 HB2 MET A 1 -17.201 -10.034 1.976 1.00 3.26 H ATOM 14 HB3 MET A 1 -18.511 -10.853 1.144 1.00 3.26 H ATOM 15 HG2 MET A 1 -17.041 -11.289 -0.765 1.00 3.63 H ATOM 16 HG3 MET A 1 -15.740 -10.420 0.036 1.00 3.51 H ATOM 17 HE1 MET A 1 -14.078 -12.406 -0.311 1.00 4.67 H ATOM 18 HE2 MET A 1 -15.333 -13.300 -1.168 1.00 4.75 H ATOM 19 HE3 MET A 1 -14.426 -14.079 0.127 1.00 4.79 H ATOM 20 N ALA A 2 -16.216 -7.482 0.974 1.00 2.23 N ATOM 21 CA ALA A 2 -14.985 -6.776 0.745 1.00 1.97 C ATOM 22 C ALA A 2 -13.875 -7.788 0.479 1.00 1.62 C ATOM 23 O ALA A 2 -13.712 -8.740 1.228 1.00 1.83 O ATOM 24 CB ALA A 2 -14.649 -5.916 1.946 1.00 2.32 C ATOM 25 H ALA A 2 -16.604 -7.469 1.882 1.00 2.55 H ATOM 26 HA ALA A 2 -15.110 -6.142 -0.121 1.00 2.02 H ATOM 27 HB1 ALA A 2 -14.532 -6.543 2.818 1.00 2.39 H ATOM 28 HB2 ALA A 2 -15.448 -5.209 2.117 1.00 2.57 H ATOM 29 HB3 ALA A 2 -13.732 -5.377 1.764 1.00 2.91 H ATOM 30 N THR A 3 -13.162 -7.607 -0.599 1.00 1.33 N ATOM 31 CA THR A 3 -12.078 -8.488 -0.948 1.00 1.10 C ATOM 32 C THR A 3 -10.780 -7.973 -0.298 1.00 0.90 C ATOM 33 O THR A 3 -10.052 -7.166 -0.878 1.00 0.87 O ATOM 34 CB THR A 3 -11.947 -8.534 -2.482 1.00 1.27 C ATOM 35 OG1 THR A 3 -13.247 -8.813 -3.039 1.00 1.70 O ATOM 36 CG2 THR A 3 -10.973 -9.626 -2.920 1.00 1.78 C ATOM 37 H THR A 3 -13.361 -6.861 -1.201 1.00 1.46 H ATOM 38 HA THR A 3 -12.297 -9.479 -0.578 1.00 1.16 H ATOM 39 HB THR A 3 -11.602 -7.573 -2.838 1.00 1.61 H ATOM 40 HG1 THR A 3 -13.862 -8.936 -2.308 1.00 2.16 H ATOM 41 HG21 THR A 3 -10.904 -9.635 -3.996 1.00 2.24 H ATOM 42 HG22 THR A 3 -11.325 -10.587 -2.576 1.00 2.32 H ATOM 43 HG23 THR A 3 -9.997 -9.429 -2.502 1.00 2.10 H ATOM 44 N LEU A 4 -10.567 -8.368 0.939 1.00 0.86 N ATOM 45 CA LEU A 4 -9.434 -7.911 1.716 1.00 0.72 C ATOM 46 C LEU A 4 -8.128 -8.473 1.201 1.00 0.67 C ATOM 47 O LEU A 4 -7.923 -9.703 1.163 1.00 0.83 O ATOM 48 CB LEU A 4 -9.572 -8.237 3.226 1.00 0.71 C ATOM 49 CG LEU A 4 -10.524 -7.365 4.081 1.00 0.87 C ATOM 50 CD1 LEU A 4 -11.961 -7.486 3.650 1.00 0.80 C ATOM 51 CD2 LEU A 4 -10.392 -7.724 5.549 1.00 1.75 C ATOM 52 H LEU A 4 -11.176 -9.036 1.333 1.00 1.00 H ATOM 53 HA LEU A 4 -9.397 -6.837 1.611 1.00 0.73 H ATOM 54 HB2 LEU A 4 -9.908 -9.260 3.309 1.00 0.79 H ATOM 55 HB3 LEU A 4 -8.587 -8.182 3.663 1.00 0.64 H ATOM 56 HG LEU A 4 -10.235 -6.331 3.972 1.00 1.34 H ATOM 57 HD11 LEU A 4 -12.055 -7.182 2.619 1.00 1.23 H ATOM 58 HD12 LEU A 4 -12.571 -6.844 4.268 1.00 1.38 H ATOM 59 HD13 LEU A 4 -12.285 -8.511 3.758 1.00 1.46 H ATOM 60 HD21 LEU A 4 -10.638 -8.766 5.695 1.00 2.19 H ATOM 61 HD22 LEU A 4 -11.064 -7.104 6.126 1.00 2.26 H ATOM 62 HD23 LEU A 4 -9.373 -7.544 5.862 1.00 2.25 H ATOM 63 N LEU A 5 -7.266 -7.582 0.757 1.00 0.55 N ATOM 64 CA LEU A 5 -5.918 -7.950 0.407 1.00 0.51 C ATOM 65 C LEU A 5 -5.211 -8.370 1.675 1.00 0.46 C ATOM 66 O LEU A 5 -5.470 -7.805 2.763 1.00 0.50 O ATOM 67 CB LEU A 5 -5.117 -6.800 -0.274 1.00 0.53 C ATOM 68 CG LEU A 5 -4.691 -5.577 0.569 1.00 0.62 C ATOM 69 CD1 LEU A 5 -3.679 -4.754 -0.195 1.00 0.66 C ATOM 70 CD2 LEU A 5 -5.866 -4.700 0.907 1.00 0.95 C ATOM 71 H LEU A 5 -7.579 -6.665 0.636 1.00 0.61 H ATOM 72 HA LEU A 5 -5.974 -8.800 -0.257 1.00 0.58 H ATOM 73 HB2 LEU A 5 -4.210 -7.233 -0.665 1.00 0.53 H ATOM 74 HB3 LEU A 5 -5.702 -6.441 -1.108 1.00 0.60 H ATOM 75 HG LEU A 5 -4.235 -5.920 1.486 1.00 0.90 H ATOM 76 HD11 LEU A 5 -2.816 -5.362 -0.417 1.00 1.08 H ATOM 77 HD12 LEU A 5 -3.379 -3.904 0.400 1.00 1.41 H ATOM 78 HD13 LEU A 5 -4.117 -4.404 -1.118 1.00 1.22 H ATOM 79 HD21 LEU A 5 -6.398 -4.451 0.000 1.00 1.46 H ATOM 80 HD22 LEU A 5 -5.492 -3.791 1.351 1.00 1.57 H ATOM 81 HD23 LEU A 5 -6.523 -5.186 1.611 1.00 1.37 H ATOM 82 N THR A 6 -4.371 -9.337 1.567 1.00 0.47 N ATOM 83 CA THR A 6 -3.667 -9.822 2.697 1.00 0.49 C ATOM 84 C THR A 6 -2.408 -8.997 2.919 1.00 0.40 C ATOM 85 O THR A 6 -2.106 -8.060 2.136 1.00 0.38 O ATOM 86 CB THR A 6 -3.317 -11.321 2.534 1.00 0.70 C ATOM 87 OG1 THR A 6 -2.522 -11.515 1.337 1.00 0.82 O ATOM 88 CG2 THR A 6 -4.582 -12.160 2.429 1.00 0.93 C ATOM 89 H THR A 6 -4.200 -9.739 0.681 1.00 0.54 H ATOM 90 HA THR A 6 -4.306 -9.711 3.562 1.00 0.55 H ATOM 91 HB THR A 6 -2.746 -11.641 3.393 1.00 0.73 H ATOM 92 HG1 THR A 6 -3.086 -11.340 0.560 1.00 1.33 H ATOM 93 HG21 THR A 6 -5.161 -12.043 3.333 1.00 1.33 H ATOM 94 HG22 THR A 6 -4.315 -13.199 2.305 1.00 1.32 H ATOM 95 HG23 THR A 6 -5.171 -11.834 1.584 1.00 1.55 H ATOM 96 N THR A 7 -1.645 -9.354 3.920 1.00 0.44 N ATOM 97 CA THR A 7 -0.411 -8.683 4.195 1.00 0.42 C ATOM 98 C THR A 7 0.603 -9.078 3.113 1.00 0.37 C ATOM 99 O THR A 7 1.504 -8.321 2.768 1.00 0.39 O ATOM 100 CB THR A 7 0.106 -9.068 5.598 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.001 -9.023 6.533 1.00 0.58 O ATOM 102 CG2 THR A 7 1.168 -8.079 6.062 1.00 0.54 C ATOM 103 H THR A 7 -1.931 -10.078 4.524 1.00 0.52 H ATOM 104 HA THR A 7 -0.590 -7.617 4.156 1.00 0.44 H ATOM 105 HB THR A 7 0.527 -10.062 5.568 1.00 0.53 H ATOM 106 HG1 THR A 7 -0.621 -8.978 7.417 1.00 0.94 H ATOM 107 HG21 THR A 7 2.009 -8.107 5.385 1.00 1.06 H ATOM 108 HG22 THR A 7 1.495 -8.329 7.060 1.00 1.24 H ATOM 109 HG23 THR A 7 0.746 -7.084 6.053 1.00 1.08 H ATOM 110 N ASP A 8 0.382 -10.251 2.527 1.00 0.41 N ATOM 111 CA ASP A 8 1.207 -10.756 1.438 1.00 0.46 C ATOM 112 C ASP A 8 0.914 -10.010 0.178 1.00 0.42 C ATOM 113 O ASP A 8 1.828 -9.652 -0.561 1.00 0.47 O ATOM 114 CB ASP A 8 1.002 -12.256 1.210 1.00 0.62 C ATOM 115 CG ASP A 8 1.710 -13.118 2.221 1.00 1.41 C ATOM 116 OD1 ASP A 8 1.814 -12.727 3.404 1.00 1.98 O ATOM 117 OD2 ASP A 8 2.227 -14.183 1.845 1.00 2.01 O ATOM 118 H ASP A 8 -0.371 -10.796 2.849 1.00 0.48 H ATOM 119 HA ASP A 8 2.240 -10.582 1.705 1.00 0.52 H ATOM 120 HB2 ASP A 8 -0.052 -12.483 1.260 1.00 0.86 H ATOM 121 HB3 ASP A 8 1.367 -12.509 0.226 1.00 1.09 H ATOM 122 N ASP A 9 -0.366 -9.739 -0.048 1.00 0.41 N ATOM 123 CA ASP A 9 -0.800 -8.989 -1.230 1.00 0.46 C ATOM 124 C ASP A 9 -0.213 -7.601 -1.216 1.00 0.40 C ATOM 125 O ASP A 9 0.352 -7.141 -2.229 1.00 0.46 O ATOM 126 CB ASP A 9 -2.331 -8.887 -1.340 1.00 0.54 C ATOM 127 CG ASP A 9 -3.027 -10.199 -1.593 1.00 0.98 C ATOM 128 OD1 ASP A 9 -2.781 -10.811 -2.654 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.840 -10.636 -0.762 1.00 1.83 O ATOM 130 H ASP A 9 -1.031 -10.065 0.596 1.00 0.43 H ATOM 131 HA ASP A 9 -0.417 -9.513 -2.094 1.00 0.53 H ATOM 132 HB2 ASP A 9 -2.704 -8.501 -0.401 1.00 1.16 H ATOM 133 HB3 ASP A 9 -2.596 -8.189 -2.119 1.00 0.89 H ATOM 134 N LEU A 10 -0.318 -6.939 -0.060 1.00 0.36 N ATOM 135 CA LEU A 10 0.218 -5.593 0.109 1.00 0.35 C ATOM 136 C LEU A 10 1.734 -5.617 -0.036 1.00 0.33 C ATOM 137 O LEU A 10 2.306 -4.789 -0.738 1.00 0.36 O ATOM 138 CB LEU A 10 -0.189 -5.000 1.472 1.00 0.37 C ATOM 139 CG LEU A 10 0.268 -3.556 1.745 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.307 -2.593 0.716 1.00 0.51 C ATOM 141 CD2 LEU A 10 -0.127 -3.127 3.149 1.00 0.48 C ATOM 142 H LEU A 10 -0.781 -7.377 0.689 1.00 0.35 H ATOM 143 HA LEU A 10 -0.193 -4.980 -0.681 1.00 0.39 H ATOM 144 HB2 LEU A 10 -1.266 -5.032 1.538 1.00 0.42 H ATOM 145 HB3 LEU A 10 0.216 -5.636 2.246 1.00 0.36 H ATOM 146 HG LEU A 10 1.345 -3.508 1.670 1.00 0.39 H ATOM 147 HD11 LEU A 10 0.033 -1.589 0.927 1.00 1.18 H ATOM 148 HD12 LEU A 10 -1.386 -2.624 0.762 1.00 0.95 H ATOM 149 HD13 LEU A 10 0.017 -2.886 -0.271 1.00 1.26 H ATOM 150 HD21 LEU A 10 0.319 -3.794 3.871 1.00 1.12 H ATOM 151 HD22 LEU A 10 -1.202 -3.156 3.244 1.00 1.06 H ATOM 152 HD23 LEU A 10 0.220 -2.121 3.331 1.00 1.05 H ATOM 153 N ARG A 11 2.365 -6.610 0.599 1.00 0.33 N ATOM 154 CA ARG A 11 3.811 -6.812 0.505 1.00 0.37 C ATOM 155 C ARG A 11 4.255 -6.949 -0.941 1.00 0.39 C ATOM 156 O ARG A 11 5.202 -6.303 -1.363 1.00 0.45 O ATOM 157 CB ARG A 11 4.257 -8.030 1.360 1.00 0.45 C ATOM 158 CG ARG A 11 5.678 -8.524 1.113 1.00 0.72 C ATOM 159 CD ARG A 11 6.149 -9.498 2.194 1.00 0.63 C ATOM 160 NE ARG A 11 5.189 -10.586 2.489 1.00 1.12 N ATOM 161 CZ ARG A 11 5.534 -11.829 2.888 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.790 -12.235 2.806 1.00 1.47 N ATOM 163 NH2 ARG A 11 4.610 -12.678 3.325 1.00 2.27 N ATOM 164 H ARG A 11 1.839 -7.217 1.166 1.00 0.33 H ATOM 165 HA ARG A 11 4.276 -5.923 0.905 1.00 0.41 H ATOM 166 HB2 ARG A 11 4.179 -7.765 2.404 1.00 0.92 H ATOM 167 HB3 ARG A 11 3.578 -8.847 1.163 1.00 1.06 H ATOM 168 HG2 ARG A 11 5.699 -9.035 0.161 1.00 1.30 H ATOM 169 HG3 ARG A 11 6.344 -7.673 1.089 1.00 1.20 H ATOM 170 HD2 ARG A 11 7.075 -9.945 1.868 1.00 1.17 H ATOM 171 HD3 ARG A 11 6.332 -8.936 3.098 1.00 1.14 H ATOM 172 HE ARG A 11 4.245 -10.323 2.454 1.00 1.86 H ATOM 173 HH11 ARG A 11 7.547 -11.675 2.441 1.00 1.69 H ATOM 174 HH12 ARG A 11 7.030 -13.165 3.123 1.00 1.97 H ATOM 175 HH21 ARG A 11 3.621 -12.475 3.387 1.00 2.91 H ATOM 176 HH22 ARG A 11 4.842 -13.612 3.624 1.00 2.56 H ATOM 177 N ARG A 12 3.541 -7.759 -1.705 1.00 0.40 N ATOM 178 CA ARG A 12 3.872 -7.953 -3.096 1.00 0.48 C ATOM 179 C ARG A 12 3.731 -6.696 -3.893 1.00 0.47 C ATOM 180 O ARG A 12 4.645 -6.326 -4.593 1.00 0.50 O ATOM 181 CB ARG A 12 3.060 -9.057 -3.748 1.00 0.56 C ATOM 182 CG ARG A 12 3.412 -10.447 -3.291 1.00 0.94 C ATOM 183 CD ARG A 12 4.910 -10.712 -3.389 1.00 1.18 C ATOM 184 NE ARG A 12 5.489 -10.327 -4.701 1.00 1.76 N ATOM 185 CZ ARG A 12 6.429 -11.019 -5.358 1.00 2.29 C ATOM 186 NH1 ARG A 12 6.819 -12.213 -4.906 1.00 2.31 N ATOM 187 NH2 ARG A 12 6.975 -10.519 -6.466 1.00 3.30 N ATOM 188 H ARG A 12 2.778 -8.242 -1.314 1.00 0.37 H ATOM 189 HA ARG A 12 4.910 -8.249 -3.131 1.00 0.54 H ATOM 190 HB2 ARG A 12 2.016 -8.886 -3.527 1.00 0.67 H ATOM 191 HB3 ARG A 12 3.201 -9.000 -4.816 1.00 0.85 H ATOM 192 HG2 ARG A 12 3.101 -10.570 -2.264 1.00 1.27 H ATOM 193 HG3 ARG A 12 2.892 -11.153 -3.919 1.00 1.35 H ATOM 194 HD2 ARG A 12 5.415 -10.172 -2.602 1.00 1.87 H ATOM 195 HD3 ARG A 12 5.057 -11.771 -3.236 1.00 1.53 H ATOM 196 HE ARG A 12 5.185 -9.475 -5.083 1.00 2.26 H ATOM 197 HH11 ARG A 12 6.444 -12.635 -4.075 1.00 2.24 H ATOM 198 HH12 ARG A 12 7.504 -12.774 -5.391 1.00 2.84 H ATOM 199 HH21 ARG A 12 6.725 -9.621 -6.864 1.00 3.81 H ATOM 200 HH22 ARG A 12 7.689 -11.029 -6.966 1.00 3.77 H ATOM 201 N ALA A 13 2.600 -6.027 -3.748 1.00 0.47 N ATOM 202 CA ALA A 13 2.308 -4.819 -4.519 1.00 0.53 C ATOM 203 C ALA A 13 3.353 -3.745 -4.268 1.00 0.46 C ATOM 204 O ALA A 13 3.840 -3.113 -5.204 1.00 0.48 O ATOM 205 CB ALA A 13 0.912 -4.308 -4.204 1.00 0.63 C ATOM 206 H ALA A 13 1.941 -6.342 -3.090 1.00 0.47 H ATOM 207 HA ALA A 13 2.346 -5.089 -5.565 1.00 0.61 H ATOM 208 HB1 ALA A 13 0.867 -4.017 -3.165 1.00 1.11 H ATOM 209 HB2 ALA A 13 0.198 -5.095 -4.392 1.00 1.26 H ATOM 210 HB3 ALA A 13 0.687 -3.457 -4.831 1.00 1.21 H ATOM 211 N LEU A 14 3.731 -3.604 -3.011 1.00 0.42 N ATOM 212 CA LEU A 14 4.716 -2.620 -2.593 1.00 0.39 C ATOM 213 C LEU A 14 6.079 -2.945 -3.255 1.00 0.40 C ATOM 214 O LEU A 14 6.780 -2.054 -3.768 1.00 0.46 O ATOM 215 CB LEU A 14 4.822 -2.637 -1.055 1.00 0.45 C ATOM 216 CG LEU A 14 5.438 -1.407 -0.382 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.563 -0.169 -0.599 1.00 0.44 C ATOM 218 CD2 LEU A 14 5.638 -1.657 1.101 1.00 1.00 C ATOM 219 H LEU A 14 3.324 -4.169 -2.318 1.00 0.44 H ATOM 220 HA LEU A 14 4.382 -1.649 -2.925 1.00 0.41 H ATOM 221 HB2 LEU A 14 3.829 -2.772 -0.651 1.00 0.73 H ATOM 222 HB3 LEU A 14 5.409 -3.501 -0.781 1.00 0.77 H ATOM 223 HG LEU A 14 6.404 -1.211 -0.826 1.00 0.97 H ATOM 224 HD11 LEU A 14 4.475 0.029 -1.657 1.00 1.04 H ATOM 225 HD12 LEU A 14 5.010 0.689 -0.120 1.00 1.18 H ATOM 226 HD13 LEU A 14 3.579 -0.336 -0.185 1.00 1.11 H ATOM 227 HD21 LEU A 14 4.687 -1.868 1.566 1.00 1.59 H ATOM 228 HD22 LEU A 14 6.070 -0.779 1.560 1.00 1.48 H ATOM 229 HD23 LEU A 14 6.302 -2.497 1.239 1.00 1.54 H ATOM 230 N VAL A 15 6.432 -4.227 -3.278 1.00 0.44 N ATOM 231 CA VAL A 15 7.674 -4.687 -3.913 1.00 0.53 C ATOM 232 C VAL A 15 7.610 -4.517 -5.445 1.00 0.55 C ATOM 233 O VAL A 15 8.603 -4.121 -6.071 1.00 0.64 O ATOM 234 CB VAL A 15 8.016 -6.170 -3.542 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.248 -6.672 -4.294 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.256 -6.293 -2.051 1.00 0.64 C ATOM 237 H VAL A 15 5.839 -4.883 -2.848 1.00 0.47 H ATOM 238 HA VAL A 15 8.462 -4.046 -3.541 1.00 0.60 H ATOM 239 HB VAL A 15 7.178 -6.799 -3.804 1.00 0.63 H ATOM 240 HG11 VAL A 15 9.449 -7.694 -4.008 1.00 1.14 H ATOM 241 HG12 VAL A 15 10.099 -6.056 -4.045 1.00 1.39 H ATOM 242 HG13 VAL A 15 9.067 -6.623 -5.358 1.00 1.29 H ATOM 243 HG21 VAL A 15 8.486 -7.319 -1.804 1.00 1.14 H ATOM 244 HG22 VAL A 15 7.369 -5.982 -1.519 1.00 1.34 H ATOM 245 HG23 VAL A 15 9.083 -5.660 -1.764 1.00 1.13 H ATOM 246 N GLU A 16 6.449 -4.782 -6.038 1.00 0.59 N ATOM 247 CA GLU A 16 6.269 -4.639 -7.489 1.00 0.69 C ATOM 248 C GLU A 16 6.507 -3.192 -7.924 1.00 0.65 C ATOM 249 O GLU A 16 7.087 -2.935 -8.987 1.00 0.77 O ATOM 250 CB GLU A 16 4.866 -5.090 -7.943 1.00 0.89 C ATOM 251 CG GLU A 16 4.518 -6.536 -7.616 1.00 1.11 C ATOM 252 CD GLU A 16 5.498 -7.536 -8.175 1.00 1.54 C ATOM 253 OE1 GLU A 16 5.424 -7.845 -9.383 1.00 1.95 O ATOM 254 OE2 GLU A 16 6.370 -8.013 -7.429 1.00 2.18 O ATOM 255 H GLU A 16 5.696 -5.096 -5.489 1.00 0.60 H ATOM 256 HA GLU A 16 7.011 -5.260 -7.969 1.00 0.80 H ATOM 257 HB2 GLU A 16 4.131 -4.453 -7.475 1.00 0.91 H ATOM 258 HB3 GLU A 16 4.797 -4.962 -9.012 1.00 0.98 H ATOM 259 HG2 GLU A 16 4.500 -6.648 -6.541 1.00 1.44 H ATOM 260 HG3 GLU A 16 3.536 -6.757 -8.005 1.00 1.45 H ATOM 261 N SER A 17 6.062 -2.262 -7.111 1.00 0.59 N ATOM 262 CA SER A 17 6.249 -0.860 -7.382 1.00 0.64 C ATOM 263 C SER A 17 7.705 -0.425 -7.187 1.00 0.74 C ATOM 264 O SER A 17 8.217 0.394 -7.948 1.00 1.04 O ATOM 265 CB SER A 17 5.331 -0.064 -6.500 1.00 0.68 C ATOM 266 OG SER A 17 3.994 -0.476 -6.704 1.00 1.27 O ATOM 267 H SER A 17 5.544 -2.510 -6.314 1.00 0.58 H ATOM 268 HA SER A 17 5.968 -0.681 -8.409 1.00 0.75 H ATOM 269 HB2 SER A 17 5.589 -0.229 -5.465 1.00 1.10 H ATOM 270 HB3 SER A 17 5.408 0.986 -6.742 1.00 1.16 H ATOM 271 HG SER A 17 3.860 -0.448 -7.668 1.00 1.65 H ATOM 272 N ALA A 18 8.372 -0.992 -6.199 1.00 0.70 N ATOM 273 CA ALA A 18 9.763 -0.644 -5.936 1.00 0.87 C ATOM 274 C ALA A 18 10.678 -1.231 -6.996 1.00 1.05 C ATOM 275 O ALA A 18 11.629 -0.587 -7.438 1.00 1.57 O ATOM 276 CB ALA A 18 10.188 -1.117 -4.558 1.00 0.95 C ATOM 277 H ALA A 18 7.909 -1.651 -5.638 1.00 0.73 H ATOM 278 HA ALA A 18 9.845 0.433 -5.966 1.00 1.09 H ATOM 279 HB1 ALA A 18 10.133 -2.194 -4.508 1.00 1.36 H ATOM 280 HB2 ALA A 18 9.539 -0.692 -3.808 1.00 1.48 H ATOM 281 HB3 ALA A 18 11.204 -0.803 -4.362 1.00 1.41 H ATOM 282 N GLY A 19 10.410 -2.474 -7.375 1.00 0.98 N ATOM 283 CA GLY A 19 11.189 -3.149 -8.398 1.00 1.32 C ATOM 284 C GLY A 19 12.497 -3.692 -7.856 1.00 1.47 C ATOM 285 O GLY A 19 12.773 -4.887 -7.952 1.00 1.85 O ATOM 286 H GLY A 19 9.668 -2.954 -6.941 1.00 1.01 H ATOM 287 HA2 GLY A 19 10.607 -3.969 -8.793 1.00 1.77 H ATOM 288 HA3 GLY A 19 11.405 -2.451 -9.194 1.00 1.79 H ATOM 289 N GLU A 20 13.270 -2.807 -7.290 1.00 1.96 N ATOM 290 CA GLU A 20 14.567 -3.098 -6.713 1.00 2.68 C ATOM 291 C GLU A 20 14.458 -4.002 -5.496 1.00 2.91 C ATOM 292 O GLU A 20 13.499 -3.909 -4.710 1.00 3.66 O ATOM 293 CB GLU A 20 15.205 -1.791 -6.230 1.00 3.52 C ATOM 294 CG GLU A 20 15.479 -0.762 -7.299 1.00 4.20 C ATOM 295 CD GLU A 20 16.479 -1.237 -8.298 1.00 4.87 C ATOM 296 OE1 GLU A 20 17.662 -1.377 -7.937 1.00 5.31 O ATOM 297 OE2 GLU A 20 16.095 -1.491 -9.466 1.00 5.27 O ATOM 298 H GLU A 20 12.930 -1.884 -7.263 1.00 2.18 H ATOM 299 HA GLU A 20 15.219 -3.525 -7.458 1.00 2.87 H ATOM 300 HB2 GLU A 20 14.554 -1.337 -5.498 1.00 3.77 H ATOM 301 HB3 GLU A 20 16.140 -2.031 -5.747 1.00 3.84 H ATOM 302 HG2 GLU A 20 14.556 -0.546 -7.815 1.00 4.47 H ATOM 303 HG3 GLU A 20 15.851 0.138 -6.830 1.00 4.44 H ATOM 304 N THR A 21 15.422 -4.870 -5.334 1.00 2.73 N ATOM 305 CA THR A 21 15.556 -5.562 -4.100 1.00 3.25 C ATOM 306 C THR A 21 16.551 -4.728 -3.274 1.00 3.14 C ATOM 307 O THR A 21 17.119 -3.765 -3.833 1.00 3.43 O ATOM 308 CB THR A 21 15.999 -7.062 -4.250 1.00 3.93 C ATOM 309 OG1 THR A 21 15.977 -7.730 -2.967 1.00 4.30 O ATOM 310 CG2 THR A 21 17.393 -7.174 -4.854 1.00 4.40 C ATOM 311 H THR A 21 16.080 -5.018 -6.046 1.00 2.62 H ATOM 312 HA THR A 21 14.591 -5.491 -3.615 1.00 3.74 H ATOM 313 HB THR A 21 15.289 -7.555 -4.899 1.00 4.40 H ATOM 314 HG1 THR A 21 15.817 -8.676 -3.121 1.00 4.42 H ATOM 315 HG21 THR A 21 18.099 -6.649 -4.227 1.00 4.75 H ATOM 316 HG22 THR A 21 17.401 -6.744 -5.845 1.00 4.61 H ATOM 317 HG23 THR A 21 17.674 -8.216 -4.917 1.00 4.66 H ATOM 318 N ASP A 22 16.818 -5.099 -2.022 1.00 3.24 N ATOM 319 CA ASP A 22 17.633 -4.259 -1.090 1.00 3.46 C ATOM 320 C ASP A 22 16.888 -2.961 -0.786 1.00 3.15 C ATOM 321 O ASP A 22 16.791 -2.062 -1.619 1.00 3.71 O ATOM 322 CB ASP A 22 19.064 -3.970 -1.614 1.00 4.08 C ATOM 323 CG ASP A 22 19.822 -2.964 -0.756 1.00 4.82 C ATOM 324 OD1 ASP A 22 20.406 -3.349 0.263 1.00 5.14 O ATOM 325 OD2 ASP A 22 19.860 -1.760 -1.108 1.00 5.44 O ATOM 326 H ASP A 22 16.452 -5.959 -1.723 1.00 3.52 H ATOM 327 HA ASP A 22 17.687 -4.813 -0.164 1.00 3.87 H ATOM 328 HB2 ASP A 22 19.626 -4.891 -1.632 1.00 4.24 H ATOM 329 HB3 ASP A 22 18.995 -3.581 -2.620 1.00 4.35 H ATOM 330 N GLY A 23 16.323 -2.887 0.376 1.00 2.69 N ATOM 331 CA GLY A 23 15.491 -1.758 0.707 1.00 2.70 C ATOM 332 C GLY A 23 14.107 -2.263 0.913 1.00 2.24 C ATOM 333 O GLY A 23 13.412 -1.878 1.845 1.00 2.70 O ATOM 334 H GLY A 23 16.427 -3.601 1.050 1.00 2.74 H ATOM 335 HA2 GLY A 23 15.856 -1.280 1.604 1.00 3.05 H ATOM 336 HA3 GLY A 23 15.483 -1.056 -0.114 1.00 3.22 H ATOM 337 N THR A 24 13.740 -3.216 0.073 1.00 1.89 N ATOM 338 CA THR A 24 12.496 -3.917 0.142 1.00 1.88 C ATOM 339 C THR A 24 12.561 -5.002 1.236 1.00 1.65 C ATOM 340 O THR A 24 12.087 -6.133 1.081 1.00 2.03 O ATOM 341 CB THR A 24 12.182 -4.516 -1.241 1.00 2.50 C ATOM 342 OG1 THR A 24 13.418 -4.845 -1.907 1.00 3.09 O ATOM 343 CG2 THR A 24 11.406 -3.533 -2.089 1.00 2.87 C ATOM 344 H THR A 24 14.344 -3.490 -0.649 1.00 2.13 H ATOM 345 HA THR A 24 11.728 -3.200 0.395 1.00 2.24 H ATOM 346 HB THR A 24 11.599 -5.414 -1.103 1.00 3.01 H ATOM 347 HG1 THR A 24 13.313 -4.605 -2.838 1.00 3.52 H ATOM 348 HG21 THR A 24 10.471 -3.298 -1.600 1.00 3.16 H ATOM 349 HG22 THR A 24 11.214 -3.974 -3.056 1.00 3.32 H ATOM 350 HG23 THR A 24 11.988 -2.632 -2.211 1.00 3.05 H ATOM 351 N ASP A 25 13.033 -4.566 2.391 1.00 1.52 N ATOM 352 CA ASP A 25 13.260 -5.372 3.587 1.00 1.56 C ATOM 353 C ASP A 25 11.977 -5.509 4.377 1.00 1.29 C ATOM 354 O ASP A 25 11.969 -5.705 5.583 1.00 1.63 O ATOM 355 CB ASP A 25 14.367 -4.722 4.445 1.00 2.14 C ATOM 356 CG ASP A 25 15.760 -4.907 3.875 1.00 2.62 C ATOM 357 OD1 ASP A 25 15.956 -4.627 2.677 1.00 3.01 O ATOM 358 OD2 ASP A 25 16.701 -5.285 4.618 1.00 3.06 O ATOM 359 H ASP A 25 13.245 -3.604 2.430 1.00 1.75 H ATOM 360 HA ASP A 25 13.589 -6.353 3.277 1.00 1.73 H ATOM 361 HB2 ASP A 25 14.172 -3.662 4.525 1.00 2.49 H ATOM 362 HB3 ASP A 25 14.339 -5.159 5.432 1.00 2.44 H ATOM 363 N LEU A 26 10.899 -5.481 3.660 1.00 1.14 N ATOM 364 CA LEU A 26 9.573 -5.614 4.196 1.00 0.93 C ATOM 365 C LEU A 26 9.151 -7.083 4.108 1.00 0.97 C ATOM 366 O LEU A 26 7.974 -7.414 3.948 1.00 1.44 O ATOM 367 CB LEU A 26 8.617 -4.712 3.404 1.00 1.11 C ATOM 368 CG LEU A 26 8.549 -4.920 1.890 1.00 0.87 C ATOM 369 CD1 LEU A 26 7.122 -5.209 1.468 1.00 1.38 C ATOM 370 CD2 LEU A 26 9.051 -3.680 1.175 1.00 1.53 C ATOM 371 H LEU A 26 11.017 -5.380 2.691 1.00 1.49 H ATOM 372 HA LEU A 26 9.589 -5.302 5.230 1.00 0.96 H ATOM 373 HB2 LEU A 26 7.622 -4.861 3.799 1.00 1.64 H ATOM 374 HB3 LEU A 26 8.902 -3.685 3.584 1.00 1.87 H ATOM 375 HG LEU A 26 9.170 -5.757 1.607 1.00 1.73 H ATOM 376 HD11 LEU A 26 7.080 -5.341 0.396 1.00 1.91 H ATOM 377 HD12 LEU A 26 6.484 -4.389 1.764 1.00 1.94 H ATOM 378 HD13 LEU A 26 6.786 -6.113 1.952 1.00 1.97 H ATOM 379 HD21 LEU A 26 9.005 -3.838 0.107 1.00 2.11 H ATOM 380 HD22 LEU A 26 10.074 -3.486 1.465 1.00 1.91 H ATOM 381 HD23 LEU A 26 8.432 -2.836 1.446 1.00 2.02 H ATOM 382 N SER A 27 10.125 -7.949 4.259 1.00 1.01 N ATOM 383 CA SER A 27 9.923 -9.364 4.165 1.00 1.18 C ATOM 384 C SER A 27 9.318 -9.884 5.473 1.00 1.27 C ATOM 385 O SER A 27 10.028 -10.189 6.429 1.00 1.98 O ATOM 386 CB SER A 27 11.252 -10.063 3.837 1.00 1.52 C ATOM 387 OG SER A 27 11.059 -11.433 3.535 1.00 2.26 O ATOM 388 H SER A 27 11.017 -7.609 4.477 1.00 1.26 H ATOM 389 HA SER A 27 9.220 -9.542 3.364 1.00 1.31 H ATOM 390 HB2 SER A 27 11.698 -9.579 2.982 1.00 1.83 H ATOM 391 HB3 SER A 27 11.913 -9.978 4.689 1.00 1.77 H ATOM 392 HG SER A 27 11.561 -11.955 4.184 1.00 2.55 H ATOM 393 N GLY A 28 8.015 -9.902 5.516 1.00 1.18 N ATOM 394 CA GLY A 28 7.310 -10.320 6.683 1.00 1.46 C ATOM 395 C GLY A 28 6.512 -9.169 7.196 1.00 1.19 C ATOM 396 O GLY A 28 5.535 -8.764 6.566 1.00 1.73 O ATOM 397 H GLY A 28 7.507 -9.557 4.754 1.00 1.42 H ATOM 398 HA2 GLY A 28 6.657 -11.146 6.442 1.00 1.84 H ATOM 399 HA3 GLY A 28 8.021 -10.618 7.439 1.00 1.75 H ATOM 400 N ASP A 29 6.919 -8.623 8.308 1.00 0.90 N ATOM 401 CA ASP A 29 6.275 -7.444 8.830 1.00 0.83 C ATOM 402 C ASP A 29 6.890 -6.188 8.266 1.00 0.79 C ATOM 403 O ASP A 29 8.106 -6.083 8.122 1.00 1.33 O ATOM 404 CB ASP A 29 6.295 -7.380 10.359 1.00 1.20 C ATOM 405 CG ASP A 29 5.807 -6.023 10.860 1.00 1.95 C ATOM 406 OD1 ASP A 29 4.619 -5.697 10.676 1.00 2.44 O ATOM 407 OD2 ASP A 29 6.607 -5.277 11.478 1.00 2.68 O ATOM 408 H ASP A 29 7.680 -9.022 8.792 1.00 1.26 H ATOM 409 HA ASP A 29 5.246 -7.483 8.505 1.00 0.92 H ATOM 410 HB2 ASP A 29 5.653 -8.152 10.756 1.00 1.67 H ATOM 411 HB3 ASP A 29 7.306 -7.535 10.706 1.00 1.46 H ATOM 412 N PHE A 30 6.038 -5.270 7.925 1.00 0.42 N ATOM 413 CA PHE A 30 6.387 -3.989 7.459 1.00 0.36 C ATOM 414 C PHE A 30 5.285 -3.042 7.863 1.00 0.32 C ATOM 415 O PHE A 30 5.242 -1.906 7.442 1.00 0.35 O ATOM 416 CB PHE A 30 6.577 -3.990 5.935 1.00 0.37 C ATOM 417 CG PHE A 30 5.353 -4.390 5.129 1.00 0.35 C ATOM 418 CD1 PHE A 30 4.965 -5.719 5.040 1.00 0.40 C ATOM 419 CD2 PHE A 30 4.610 -3.442 4.460 1.00 0.38 C ATOM 420 CE1 PHE A 30 3.860 -6.082 4.309 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.502 -3.801 3.724 1.00 0.42 C ATOM 422 CZ PHE A 30 3.128 -5.122 3.651 1.00 0.46 C ATOM 423 H PHE A 30 5.084 -5.452 7.982 1.00 0.67 H ATOM 424 HA PHE A 30 7.310 -3.694 7.935 1.00 0.43 H ATOM 425 HB2 PHE A 30 6.898 -3.002 5.642 1.00 0.40 H ATOM 426 HB3 PHE A 30 7.376 -4.679 5.704 1.00 0.41 H ATOM 427 HD1 PHE A 30 5.536 -6.474 5.559 1.00 0.43 H ATOM 428 HD2 PHE A 30 4.904 -2.403 4.515 1.00 0.43 H ATOM 429 HE1 PHE A 30 3.569 -7.121 4.246 1.00 0.55 H ATOM 430 HE2 PHE A 30 2.929 -3.045 3.207 1.00 0.47 H ATOM 431 HZ PHE A 30 2.261 -5.405 3.073 1.00 0.53 H ATOM 432 N LEU A 31 4.412 -3.509 8.746 1.00 0.35 N ATOM 433 CA LEU A 31 3.274 -2.729 9.137 1.00 0.36 C ATOM 434 C LEU A 31 3.656 -1.740 10.235 1.00 0.39 C ATOM 435 O LEU A 31 3.024 -0.709 10.398 1.00 0.46 O ATOM 436 CB LEU A 31 2.114 -3.631 9.561 1.00 0.40 C ATOM 437 CG LEU A 31 1.599 -4.608 8.485 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.431 -5.411 9.015 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.194 -3.866 7.219 1.00 0.38 C ATOM 440 H LEU A 31 4.554 -4.375 9.192 1.00 0.44 H ATOM 441 HA LEU A 31 2.970 -2.170 8.260 1.00 0.35 H ATOM 442 HB2 LEU A 31 2.433 -4.210 10.413 1.00 0.44 H ATOM 443 HB3 LEU A 31 1.289 -3.004 9.864 1.00 0.42 H ATOM 444 HG LEU A 31 2.386 -5.303 8.237 1.00 0.39 H ATOM 445 HD11 LEU A 31 -0.372 -4.743 9.290 1.00 0.98 H ATOM 446 HD12 LEU A 31 0.750 -5.970 9.883 1.00 1.10 H ATOM 447 HD13 LEU A 31 0.090 -6.090 8.249 1.00 1.06 H ATOM 448 HD21 LEU A 31 2.048 -3.342 6.816 1.00 1.07 H ATOM 449 HD22 LEU A 31 0.415 -3.156 7.455 1.00 1.11 H ATOM 450 HD23 LEU A 31 0.830 -4.575 6.490 1.00 1.05 H ATOM 451 N ASP A 32 4.690 -2.071 10.995 1.00 0.43 N ATOM 452 CA ASP A 32 5.219 -1.130 11.993 1.00 0.52 C ATOM 453 C ASP A 32 6.380 -0.353 11.370 1.00 0.50 C ATOM 454 O ASP A 32 6.918 0.603 11.936 1.00 0.66 O ATOM 455 CB ASP A 32 5.658 -1.856 13.279 1.00 0.69 C ATOM 456 CG ASP A 32 6.139 -0.901 14.367 1.00 1.46 C ATOM 457 OD1 ASP A 32 5.299 -0.200 14.984 1.00 1.95 O ATOM 458 OD2 ASP A 32 7.358 -0.820 14.608 1.00 2.20 O ATOM 459 H ASP A 32 5.095 -2.962 10.909 1.00 0.46 H ATOM 460 HA ASP A 32 4.429 -0.426 12.217 1.00 0.59 H ATOM 461 HB2 ASP A 32 4.820 -2.417 13.669 1.00 1.12 H ATOM 462 HB3 ASP A 32 6.460 -2.538 13.038 1.00 1.24 H ATOM 463 N LEU A 33 6.727 -0.762 10.173 1.00 0.42 N ATOM 464 CA LEU A 33 7.780 -0.145 9.408 1.00 0.50 C ATOM 465 C LEU A 33 7.255 1.135 8.752 1.00 0.45 C ATOM 466 O LEU A 33 6.046 1.364 8.715 1.00 0.57 O ATOM 467 CB LEU A 33 8.311 -1.139 8.347 1.00 0.66 C ATOM 468 CG LEU A 33 9.074 -2.367 8.866 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.690 -3.146 7.717 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.143 -1.964 9.846 1.00 1.18 C ATOM 471 H LEU A 33 6.217 -1.493 9.773 1.00 0.43 H ATOM 472 HA LEU A 33 8.581 0.117 10.083 1.00 0.61 H ATOM 473 HB2 LEU A 33 7.427 -1.524 7.862 1.00 1.44 H ATOM 474 HB3 LEU A 33 8.901 -0.662 7.585 1.00 1.18 H ATOM 475 HG LEU A 33 8.378 -3.021 9.369 1.00 0.96 H ATOM 476 HD11 LEU A 33 10.227 -3.996 8.108 1.00 1.97 H ATOM 477 HD12 LEU A 33 10.364 -2.510 7.163 1.00 2.01 H ATOM 478 HD13 LEU A 33 8.906 -3.495 7.060 1.00 1.95 H ATOM 479 HD21 LEU A 33 10.821 -1.282 9.352 1.00 1.52 H ATOM 480 HD22 LEU A 33 10.674 -2.850 10.159 1.00 1.91 H ATOM 481 HD23 LEU A 33 9.689 -1.486 10.702 1.00 1.52 H ATOM 482 N ARG A 34 8.141 1.968 8.276 1.00 0.43 N ATOM 483 CA ARG A 34 7.740 3.209 7.621 1.00 0.42 C ATOM 484 C ARG A 34 8.109 3.134 6.160 1.00 0.36 C ATOM 485 O ARG A 34 9.007 2.382 5.800 1.00 0.45 O ATOM 486 CB ARG A 34 8.430 4.415 8.255 1.00 0.58 C ATOM 487 CG ARG A 34 8.078 4.675 9.703 1.00 0.77 C ATOM 488 CD ARG A 34 8.908 5.831 10.258 1.00 1.08 C ATOM 489 NE ARG A 34 8.808 7.048 9.426 1.00 1.82 N ATOM 490 CZ ARG A 34 9.693 8.060 9.439 1.00 2.41 C ATOM 491 NH1 ARG A 34 10.601 8.127 10.404 1.00 2.43 N ATOM 492 NH2 ARG A 34 9.610 9.030 8.538 1.00 3.44 N ATOM 493 H ARG A 34 9.094 1.739 8.329 1.00 0.55 H ATOM 494 HA ARG A 34 6.669 3.317 7.712 1.00 0.45 H ATOM 495 HB2 ARG A 34 9.500 4.287 8.204 1.00 0.77 H ATOM 496 HB3 ARG A 34 8.167 5.296 7.687 1.00 0.78 H ATOM 497 HG2 ARG A 34 7.028 4.918 9.780 1.00 0.95 H ATOM 498 HG3 ARG A 34 8.286 3.785 10.280 1.00 1.06 H ATOM 499 HD2 ARG A 34 8.554 6.069 11.249 1.00 1.67 H ATOM 500 HD3 ARG A 34 9.941 5.520 10.308 1.00 1.45 H ATOM 501 HE ARG A 34 8.033 7.044 8.806 1.00 2.30 H ATOM 502 HH11 ARG A 34 10.628 7.443 11.142 1.00 2.29 H ATOM 503 HH12 ARG A 34 11.315 8.838 10.472 1.00 3.00 H ATOM 504 HH21 ARG A 34 8.894 9.043 7.819 1.00 3.92 H ATOM 505 HH22 ARG A 34 10.251 9.809 8.501 1.00 3.95 H ATOM 506 N PHE A 35 7.459 3.931 5.330 1.00 0.33 N ATOM 507 CA PHE A 35 7.723 3.917 3.896 1.00 0.33 C ATOM 508 C PHE A 35 9.106 4.487 3.610 1.00 0.38 C ATOM 509 O PHE A 35 9.898 3.907 2.879 1.00 0.43 O ATOM 510 CB PHE A 35 6.670 4.727 3.135 1.00 0.34 C ATOM 511 CG PHE A 35 5.266 4.222 3.286 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.858 3.070 2.637 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.351 4.904 4.069 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.567 2.609 2.769 1.00 0.50 C ATOM 515 CE2 PHE A 35 3.062 4.447 4.203 1.00 0.48 C ATOM 516 CZ PHE A 35 2.668 3.305 3.555 1.00 0.51 C ATOM 517 H PHE A 35 6.800 4.568 5.681 1.00 0.40 H ATOM 518 HA PHE A 35 7.678 2.890 3.566 1.00 0.36 H ATOM 519 HB2 PHE A 35 6.689 5.744 3.494 1.00 0.35 H ATOM 520 HB3 PHE A 35 6.918 4.719 2.084 1.00 0.39 H ATOM 521 HD1 PHE A 35 5.565 2.531 2.024 1.00 0.47 H ATOM 522 HD2 PHE A 35 4.647 5.806 4.585 1.00 0.41 H ATOM 523 HE1 PHE A 35 3.257 1.708 2.261 1.00 0.57 H ATOM 524 HE2 PHE A 35 2.358 4.988 4.819 1.00 0.55 H ATOM 525 HZ PHE A 35 1.656 2.950 3.668 1.00 0.58 H ATOM 526 N GLU A 36 9.394 5.604 4.230 1.00 0.48 N ATOM 527 CA GLU A 36 10.661 6.283 4.067 1.00 0.62 C ATOM 528 C GLU A 36 11.774 5.445 4.688 1.00 0.63 C ATOM 529 O GLU A 36 12.902 5.428 4.211 1.00 0.72 O ATOM 530 CB GLU A 36 10.634 7.673 4.738 1.00 0.83 C ATOM 531 CG GLU A 36 9.354 8.482 4.514 1.00 1.40 C ATOM 532 CD GLU A 36 8.281 8.193 5.561 1.00 1.83 C ATOM 533 OE1 GLU A 36 7.689 7.107 5.509 1.00 2.73 O ATOM 534 OE2 GLU A 36 7.972 9.065 6.399 1.00 1.89 O ATOM 535 H GLU A 36 8.697 6.019 4.799 1.00 0.52 H ATOM 536 HA GLU A 36 10.852 6.405 3.011 1.00 0.69 H ATOM 537 HB2 GLU A 36 10.755 7.541 5.803 1.00 1.43 H ATOM 538 HB3 GLU A 36 11.466 8.253 4.364 1.00 1.37 H ATOM 539 HG2 GLU A 36 9.587 9.537 4.550 1.00 1.99 H ATOM 540 HG3 GLU A 36 8.956 8.242 3.538 1.00 2.11 H ATOM 541 N ASP A 37 11.406 4.721 5.731 1.00 0.61 N ATOM 542 CA ASP A 37 12.314 3.850 6.485 1.00 0.70 C ATOM 543 C ASP A 37 12.789 2.687 5.620 1.00 0.69 C ATOM 544 O ASP A 37 13.930 2.258 5.712 1.00 0.82 O ATOM 545 CB ASP A 37 11.579 3.359 7.737 1.00 0.77 C ATOM 546 CG ASP A 37 12.310 2.343 8.576 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.474 2.581 8.974 1.00 1.27 O ATOM 548 OD2 ASP A 37 11.707 1.292 8.872 1.00 1.36 O ATOM 549 H ASP A 37 10.466 4.766 5.996 1.00 0.57 H ATOM 550 HA ASP A 37 13.168 4.436 6.790 1.00 0.80 H ATOM 551 HB2 ASP A 37 11.341 4.201 8.369 1.00 1.07 H ATOM 552 HB3 ASP A 37 10.657 2.910 7.399 1.00 0.95 H ATOM 553 N ILE A 38 11.920 2.216 4.739 1.00 0.59 N ATOM 554 CA ILE A 38 12.276 1.136 3.823 1.00 0.63 C ATOM 555 C ILE A 38 12.728 1.669 2.447 1.00 0.63 C ATOM 556 O ILE A 38 12.793 0.939 1.466 1.00 0.66 O ATOM 557 CB ILE A 38 11.170 0.053 3.683 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.828 0.683 3.262 1.00 0.48 C ATOM 559 CG2 ILE A 38 11.033 -0.730 4.986 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.684 -0.302 3.115 1.00 0.54 C ATOM 561 H ILE A 38 11.012 2.585 4.706 1.00 0.56 H ATOM 562 HA ILE A 38 13.151 0.677 4.265 1.00 0.73 H ATOM 563 HB ILE A 38 11.488 -0.644 2.921 1.00 0.66 H ATOM 564 HG12 ILE A 38 9.536 1.411 4.003 1.00 0.43 H ATOM 565 HG13 ILE A 38 9.964 1.187 2.316 1.00 0.48 H ATOM 566 HG21 ILE A 38 11.972 -1.212 5.213 1.00 1.43 H ATOM 567 HG22 ILE A 38 10.255 -1.472 4.878 1.00 1.12 H ATOM 568 HG23 ILE A 38 10.771 -0.054 5.785 1.00 1.13 H ATOM 569 HD11 ILE A 38 8.517 -0.800 4.059 1.00 1.13 H ATOM 570 HD12 ILE A 38 8.931 -1.030 2.355 1.00 1.03 H ATOM 571 HD13 ILE A 38 7.791 0.231 2.826 1.00 1.00 H ATOM 572 N GLY A 39 13.094 2.944 2.415 1.00 0.63 N ATOM 573 CA GLY A 39 13.634 3.551 1.205 1.00 0.68 C ATOM 574 C GLY A 39 12.631 3.715 0.074 1.00 0.59 C ATOM 575 O GLY A 39 12.972 3.532 -1.105 1.00 0.70 O ATOM 576 H GLY A 39 13.003 3.472 3.236 1.00 0.63 H ATOM 577 HA2 GLY A 39 14.024 4.527 1.455 1.00 0.71 H ATOM 578 HA3 GLY A 39 14.457 2.942 0.857 1.00 0.81 H ATOM 579 N TYR A 40 11.414 4.045 0.405 1.00 0.45 N ATOM 580 CA TYR A 40 10.407 4.281 -0.601 1.00 0.45 C ATOM 581 C TYR A 40 10.202 5.738 -0.857 1.00 0.47 C ATOM 582 O TYR A 40 10.089 6.544 0.073 1.00 0.62 O ATOM 583 CB TYR A 40 9.073 3.637 -0.247 1.00 0.42 C ATOM 584 CG TYR A 40 8.958 2.188 -0.612 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.867 1.242 -0.156 1.00 0.53 C ATOM 586 CD2 TYR A 40 7.933 1.769 -1.433 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.751 -0.084 -0.505 1.00 0.60 C ATOM 588 CE2 TYR A 40 7.807 0.457 -1.787 1.00 0.68 C ATOM 589 CZ TYR A 40 8.716 -0.474 -1.319 1.00 0.67 C ATOM 590 OH TYR A 40 8.585 -1.794 -1.675 1.00 0.78 O ATOM 591 H TYR A 40 11.167 4.128 1.352 1.00 0.42 H ATOM 592 HA TYR A 40 10.763 3.829 -1.515 1.00 0.56 H ATOM 593 HB2 TYR A 40 8.896 3.725 0.815 1.00 0.43 H ATOM 594 HB3 TYR A 40 8.290 4.171 -0.767 1.00 0.44 H ATOM 595 HD1 TYR A 40 10.678 1.560 0.484 1.00 0.63 H ATOM 596 HD2 TYR A 40 7.218 2.493 -1.795 1.00 0.66 H ATOM 597 HE1 TYR A 40 10.464 -0.806 -0.135 1.00 0.69 H ATOM 598 HE2 TYR A 40 6.986 0.171 -2.429 1.00 0.85 H ATOM 599 HH TYR A 40 8.212 -1.826 -2.565 1.00 1.25 H ATOM 600 N ASP A 41 10.203 6.091 -2.113 1.00 0.55 N ATOM 601 CA ASP A 41 9.859 7.431 -2.502 1.00 0.69 C ATOM 602 C ASP A 41 8.374 7.444 -2.735 1.00 0.85 C ATOM 603 O ASP A 41 7.735 6.372 -2.770 1.00 1.62 O ATOM 604 CB ASP A 41 10.561 7.877 -3.794 1.00 0.82 C ATOM 605 CG ASP A 41 12.066 7.745 -3.765 1.00 0.99 C ATOM 606 OD1 ASP A 41 12.732 8.534 -3.059 1.00 1.27 O ATOM 607 OD2 ASP A 41 12.615 6.848 -4.434 1.00 1.32 O ATOM 608 H ASP A 41 10.455 5.430 -2.797 1.00 0.64 H ATOM 609 HA ASP A 41 10.107 8.103 -1.692 1.00 0.70 H ATOM 610 HB2 ASP A 41 10.155 7.330 -4.628 1.00 1.07 H ATOM 611 HB3 ASP A 41 10.318 8.919 -3.946 1.00 1.03 H ATOM 612 N SER A 42 7.821 8.600 -2.953 1.00 0.50 N ATOM 613 CA SER A 42 6.398 8.733 -3.153 1.00 0.53 C ATOM 614 C SER A 42 5.922 8.054 -4.435 1.00 0.51 C ATOM 615 O SER A 42 4.817 7.546 -4.486 1.00 0.48 O ATOM 616 CB SER A 42 5.976 10.196 -3.085 1.00 0.69 C ATOM 617 OG SER A 42 7.130 11.079 -3.319 1.00 1.05 O ATOM 618 H SER A 42 8.388 9.398 -3.014 1.00 0.83 H ATOM 619 HA SER A 42 5.923 8.225 -2.325 1.00 0.54 H ATOM 620 HB2 SER A 42 5.222 10.386 -3.835 1.00 1.09 H ATOM 621 HB3 SER A 42 5.572 10.399 -2.104 1.00 1.08 H ATOM 622 N LEU A 43 6.772 8.052 -5.453 1.00 0.57 N ATOM 623 CA LEU A 43 6.464 7.414 -6.720 1.00 0.62 C ATOM 624 C LEU A 43 6.168 5.943 -6.518 1.00 0.56 C ATOM 625 O LEU A 43 5.124 5.460 -6.924 1.00 0.58 O ATOM 626 CB LEU A 43 7.609 7.596 -7.717 1.00 0.74 C ATOM 627 CG LEU A 43 7.411 6.961 -9.099 1.00 0.86 C ATOM 628 CD1 LEU A 43 6.167 7.505 -9.776 1.00 1.40 C ATOM 629 CD2 LEU A 43 8.626 7.201 -9.967 1.00 1.19 C ATOM 630 H LEU A 43 7.616 8.556 -5.353 1.00 0.63 H ATOM 631 HA LEU A 43 5.579 7.887 -7.119 1.00 0.68 H ATOM 632 HB2 LEU A 43 7.772 8.655 -7.856 1.00 0.80 H ATOM 633 HB3 LEU A 43 8.500 7.168 -7.280 1.00 0.74 H ATOM 634 HG LEU A 43 7.285 5.894 -8.982 1.00 1.21 H ATOM 635 HD11 LEU A 43 5.304 7.283 -9.163 1.00 2.04 H ATOM 636 HD12 LEU A 43 6.050 7.041 -10.743 1.00 1.94 H ATOM 637 HD13 LEU A 43 6.256 8.575 -9.895 1.00 1.66 H ATOM 638 HD21 LEU A 43 8.484 6.723 -10.924 1.00 1.69 H ATOM 639 HD22 LEU A 43 9.499 6.789 -9.483 1.00 1.62 H ATOM 640 HD23 LEU A 43 8.766 8.262 -10.108 1.00 1.71 H ATOM 641 N ALA A 44 7.068 5.264 -5.836 1.00 0.54 N ATOM 642 CA ALA A 44 6.920 3.837 -5.572 1.00 0.54 C ATOM 643 C ALA A 44 5.716 3.593 -4.673 1.00 0.47 C ATOM 644 O ALA A 44 4.955 2.666 -4.880 1.00 0.53 O ATOM 645 CB ALA A 44 8.191 3.287 -4.932 1.00 0.59 C ATOM 646 H ALA A 44 7.858 5.736 -5.505 1.00 0.57 H ATOM 647 HA ALA A 44 6.757 3.334 -6.515 1.00 0.62 H ATOM 648 HB1 ALA A 44 9.034 3.470 -5.583 1.00 1.28 H ATOM 649 HB2 ALA A 44 8.082 2.225 -4.779 1.00 1.12 H ATOM 650 HB3 ALA A 44 8.355 3.773 -3.980 1.00 1.13 H ATOM 651 N LEU A 45 5.537 4.477 -3.718 1.00 0.42 N ATOM 652 CA LEU A 45 4.457 4.379 -2.760 1.00 0.38 C ATOM 653 C LEU A 45 3.088 4.535 -3.475 1.00 0.37 C ATOM 654 O LEU A 45 2.202 3.681 -3.333 1.00 0.39 O ATOM 655 CB LEU A 45 4.669 5.461 -1.679 1.00 0.35 C ATOM 656 CG LEU A 45 3.944 5.311 -0.331 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.442 6.366 0.617 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.439 5.422 -0.466 1.00 0.53 C ATOM 659 H LEU A 45 6.168 5.225 -3.641 1.00 0.46 H ATOM 660 HA LEU A 45 4.502 3.403 -2.301 1.00 0.42 H ATOM 661 HB2 LEU A 45 5.728 5.506 -1.466 1.00 0.34 H ATOM 662 HB3 LEU A 45 4.372 6.405 -2.113 1.00 0.40 H ATOM 663 HG LEU A 45 4.190 4.349 0.094 1.00 0.43 H ATOM 664 HD11 LEU A 45 4.248 7.347 0.209 1.00 1.04 H ATOM 665 HD12 LEU A 45 5.505 6.220 0.743 1.00 1.10 H ATOM 666 HD13 LEU A 45 3.946 6.256 1.570 1.00 1.14 H ATOM 667 HD21 LEU A 45 2.077 4.633 -1.109 1.00 0.97 H ATOM 668 HD22 LEU A 45 2.204 6.383 -0.900 1.00 1.13 H ATOM 669 HD23 LEU A 45 1.979 5.343 0.508 1.00 1.32 H ATOM 670 N MET A 46 2.928 5.600 -4.258 1.00 0.37 N ATOM 671 CA MET A 46 1.659 5.838 -4.944 1.00 0.40 C ATOM 672 C MET A 46 1.410 4.832 -6.068 1.00 0.35 C ATOM 673 O MET A 46 0.266 4.564 -6.428 1.00 0.36 O ATOM 674 CB MET A 46 1.540 7.287 -5.435 1.00 0.52 C ATOM 675 CG MET A 46 1.470 8.301 -4.298 1.00 0.70 C ATOM 676 SD MET A 46 1.291 10.003 -4.860 1.00 0.96 S ATOM 677 CE MET A 46 1.196 10.867 -3.291 1.00 2.41 C ATOM 678 H MET A 46 3.664 6.250 -4.383 1.00 0.38 H ATOM 679 HA MET A 46 0.893 5.665 -4.203 1.00 0.47 H ATOM 680 HB2 MET A 46 2.398 7.518 -6.050 1.00 0.53 H ATOM 681 HB3 MET A 46 0.647 7.385 -6.032 1.00 0.59 H ATOM 682 HG2 MET A 46 0.625 8.057 -3.672 1.00 0.73 H ATOM 683 HG3 MET A 46 2.378 8.222 -3.717 1.00 0.73 H ATOM 684 HE1 MET A 46 1.092 11.927 -3.475 1.00 2.94 H ATOM 685 HE2 MET A 46 2.097 10.684 -2.722 1.00 2.88 H ATOM 686 HE3 MET A 46 0.342 10.511 -2.733 1.00 2.92 H ATOM 687 N GLU A 47 2.482 4.244 -6.582 1.00 0.37 N ATOM 688 CA GLU A 47 2.389 3.227 -7.629 1.00 0.39 C ATOM 689 C GLU A 47 1.658 1.997 -7.033 1.00 0.37 C ATOM 690 O GLU A 47 0.737 1.445 -7.639 1.00 0.43 O ATOM 691 CB GLU A 47 3.824 2.870 -8.099 1.00 0.48 C ATOM 692 CG GLU A 47 3.969 2.276 -9.511 1.00 0.68 C ATOM 693 CD GLU A 47 3.289 0.949 -9.706 1.00 1.41 C ATOM 694 OE1 GLU A 47 3.870 -0.084 -9.349 1.00 1.84 O ATOM 695 OE2 GLU A 47 2.154 0.907 -10.208 1.00 2.15 O ATOM 696 H GLU A 47 3.373 4.506 -6.262 1.00 0.40 H ATOM 697 HA GLU A 47 1.814 3.625 -8.452 1.00 0.42 H ATOM 698 HB2 GLU A 47 4.419 3.771 -8.065 1.00 0.57 H ATOM 699 HB3 GLU A 47 4.243 2.167 -7.395 1.00 0.68 H ATOM 700 HG2 GLU A 47 3.544 2.966 -10.222 1.00 1.01 H ATOM 701 HG3 GLU A 47 5.020 2.157 -9.726 1.00 1.05 H ATOM 702 N THR A 48 2.040 1.635 -5.810 1.00 0.36 N ATOM 703 CA THR A 48 1.423 0.537 -5.079 1.00 0.39 C ATOM 704 C THR A 48 -0.071 0.806 -4.857 1.00 0.35 C ATOM 705 O THR A 48 -0.918 -0.089 -5.029 1.00 0.40 O ATOM 706 CB THR A 48 2.134 0.359 -3.727 1.00 0.43 C ATOM 707 OG1 THR A 48 3.514 0.094 -3.964 1.00 0.51 O ATOM 708 CG2 THR A 48 1.529 -0.781 -2.918 1.00 0.51 C ATOM 709 H THR A 48 2.784 2.111 -5.380 1.00 0.38 H ATOM 710 HA THR A 48 1.542 -0.366 -5.658 1.00 0.44 H ATOM 711 HB THR A 48 2.044 1.280 -3.167 1.00 0.39 H ATOM 712 HG1 THR A 48 3.631 -0.114 -4.905 1.00 0.77 H ATOM 713 HG21 THR A 48 2.060 -0.885 -1.983 1.00 1.01 H ATOM 714 HG22 THR A 48 1.613 -1.696 -3.486 1.00 1.20 H ATOM 715 HG23 THR A 48 0.488 -0.567 -2.727 1.00 1.19 H ATOM 716 N ALA A 49 -0.390 2.033 -4.491 1.00 0.31 N ATOM 717 CA ALA A 49 -1.764 2.438 -4.265 1.00 0.32 C ATOM 718 C ALA A 49 -2.591 2.276 -5.540 1.00 0.30 C ATOM 719 O ALA A 49 -3.696 1.728 -5.507 1.00 0.32 O ATOM 720 CB ALA A 49 -1.807 3.862 -3.778 1.00 0.38 C ATOM 721 H ALA A 49 0.337 2.683 -4.375 1.00 0.32 H ATOM 722 HA ALA A 49 -2.175 1.797 -3.497 1.00 0.36 H ATOM 723 HB1 ALA A 49 -2.833 4.141 -3.589 1.00 1.14 H ATOM 724 HB2 ALA A 49 -1.390 4.512 -4.535 1.00 1.07 H ATOM 725 HB3 ALA A 49 -1.236 3.952 -2.867 1.00 1.05 H ATOM 726 N ALA A 50 -2.015 2.694 -6.666 1.00 0.29 N ATOM 727 CA ALA A 50 -2.666 2.596 -7.970 1.00 0.31 C ATOM 728 C ALA A 50 -2.986 1.139 -8.327 1.00 0.31 C ATOM 729 O ALA A 50 -4.011 0.848 -8.962 1.00 0.35 O ATOM 730 CB ALA A 50 -1.796 3.228 -9.050 1.00 0.39 C ATOM 731 H ALA A 50 -1.120 3.100 -6.616 1.00 0.31 H ATOM 732 HA ALA A 50 -3.593 3.148 -7.913 1.00 0.32 H ATOM 733 HB1 ALA A 50 -1.580 4.253 -8.784 1.00 1.16 H ATOM 734 HB2 ALA A 50 -2.324 3.212 -9.992 1.00 1.05 H ATOM 735 HB3 ALA A 50 -0.870 2.680 -9.148 1.00 1.05 H ATOM 736 N ARG A 51 -2.110 0.227 -7.905 1.00 0.32 N ATOM 737 CA ARG A 51 -2.309 -1.211 -8.115 1.00 0.38 C ATOM 738 C ARG A 51 -3.559 -1.661 -7.394 1.00 0.37 C ATOM 739 O ARG A 51 -4.417 -2.336 -7.958 1.00 0.47 O ATOM 740 CB ARG A 51 -1.145 -2.016 -7.533 1.00 0.49 C ATOM 741 CG ARG A 51 0.214 -1.702 -8.095 1.00 0.97 C ATOM 742 CD ARG A 51 0.326 -2.066 -9.553 1.00 0.98 C ATOM 743 NE ARG A 51 1.667 -1.819 -10.022 1.00 1.92 N ATOM 744 CZ ARG A 51 2.452 -2.695 -10.634 1.00 2.31 C ATOM 745 NH1 ARG A 51 1.992 -3.897 -10.989 1.00 2.05 N ATOM 746 NH2 ARG A 51 3.705 -2.356 -10.877 1.00 3.40 N ATOM 747 H ARG A 51 -1.298 0.551 -7.452 1.00 0.33 H ATOM 748 HA ARG A 51 -2.390 -1.417 -9.171 1.00 0.43 H ATOM 749 HB2 ARG A 51 -1.107 -1.843 -6.467 1.00 1.08 H ATOM 750 HB3 ARG A 51 -1.343 -3.064 -7.700 1.00 1.12 H ATOM 751 HG2 ARG A 51 0.399 -0.644 -7.989 1.00 1.56 H ATOM 752 HG3 ARG A 51 0.956 -2.260 -7.543 1.00 1.50 H ATOM 753 HD2 ARG A 51 0.089 -3.111 -9.685 1.00 1.17 H ATOM 754 HD3 ARG A 51 -0.362 -1.463 -10.128 1.00 1.40 H ATOM 755 HE ARG A 51 2.017 -0.914 -9.814 1.00 2.58 H ATOM 756 HH11 ARG A 51 1.050 -4.203 -10.804 1.00 1.81 H ATOM 757 HH12 ARG A 51 2.574 -4.567 -11.469 1.00 2.55 H ATOM 758 HH21 ARG A 51 4.009 -1.442 -10.573 1.00 4.01 H ATOM 759 HH22 ARG A 51 4.393 -2.949 -11.314 1.00 3.78 H ATOM 760 N LEU A 52 -3.658 -1.242 -6.148 1.00 0.32 N ATOM 761 CA LEU A 52 -4.731 -1.653 -5.265 1.00 0.34 C ATOM 762 C LEU A 52 -6.073 -1.119 -5.733 1.00 0.33 C ATOM 763 O LEU A 52 -7.065 -1.863 -5.770 1.00 0.40 O ATOM 764 CB LEU A 52 -4.443 -1.215 -3.825 1.00 0.35 C ATOM 765 CG LEU A 52 -3.108 -1.686 -3.242 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.953 -1.220 -1.805 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.965 -3.201 -3.347 1.00 0.39 C ATOM 768 H LEU A 52 -2.978 -0.616 -5.816 1.00 0.30 H ATOM 769 HA LEU A 52 -4.762 -2.733 -5.291 1.00 0.39 H ATOM 770 HB2 LEU A 52 -4.447 -0.135 -3.798 1.00 0.35 H ATOM 771 HB3 LEU A 52 -5.239 -1.582 -3.194 1.00 0.38 H ATOM 772 HG LEU A 52 -2.313 -1.229 -3.814 1.00 0.41 H ATOM 773 HD11 LEU A 52 -3.758 -1.625 -1.209 1.00 1.04 H ATOM 774 HD12 LEU A 52 -2.980 -0.141 -1.770 1.00 1.06 H ATOM 775 HD13 LEU A 52 -2.007 -1.566 -1.419 1.00 1.06 H ATOM 776 HD21 LEU A 52 -3.771 -3.670 -2.801 1.00 1.11 H ATOM 777 HD22 LEU A 52 -2.018 -3.511 -2.929 1.00 0.96 H ATOM 778 HD23 LEU A 52 -3.013 -3.499 -4.384 1.00 1.10 H ATOM 779 N GLU A 53 -6.098 0.155 -6.112 1.00 0.28 N ATOM 780 CA GLU A 53 -7.320 0.790 -6.585 1.00 0.29 C ATOM 781 C GLU A 53 -7.870 0.075 -7.802 1.00 0.31 C ATOM 782 O GLU A 53 -9.020 -0.323 -7.814 1.00 0.35 O ATOM 783 CB GLU A 53 -7.094 2.255 -6.951 1.00 0.29 C ATOM 784 CG GLU A 53 -6.635 3.159 -5.833 1.00 0.35 C ATOM 785 CD GLU A 53 -6.531 4.585 -6.308 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.559 4.918 -7.007 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.453 5.390 -6.024 1.00 0.51 O ATOM 788 H GLU A 53 -5.277 0.695 -6.063 1.00 0.27 H ATOM 789 HA GLU A 53 -8.060 0.734 -5.796 1.00 0.33 H ATOM 790 HB2 GLU A 53 -6.331 2.292 -7.714 1.00 0.29 H ATOM 791 HB3 GLU A 53 -8.010 2.656 -7.357 1.00 0.32 H ATOM 792 HG2 GLU A 53 -7.343 3.112 -5.018 1.00 0.41 H ATOM 793 HG3 GLU A 53 -5.662 2.836 -5.496 1.00 0.33 H ATOM 794 N SER A 54 -7.041 -0.113 -8.797 1.00 0.35 N ATOM 795 CA SER A 54 -7.479 -0.709 -10.034 1.00 0.43 C ATOM 796 C SER A 54 -7.867 -2.191 -9.865 1.00 0.47 C ATOM 797 O SER A 54 -8.952 -2.609 -10.293 1.00 0.61 O ATOM 798 CB SER A 54 -6.400 -0.515 -11.098 1.00 0.49 C ATOM 799 OG SER A 54 -5.135 -0.964 -10.624 1.00 1.16 O ATOM 800 H SER A 54 -6.101 0.156 -8.707 1.00 0.36 H ATOM 801 HA SER A 54 -8.360 -0.167 -10.345 1.00 0.45 H ATOM 802 HB2 SER A 54 -6.660 -1.084 -11.978 1.00 1.13 H ATOM 803 HB3 SER A 54 -6.325 0.532 -11.355 1.00 1.14 H ATOM 804 HG SER A 54 -4.671 -0.222 -10.209 1.00 1.39 H ATOM 805 N ARG A 55 -7.012 -2.950 -9.178 1.00 0.40 N ATOM 806 CA ARG A 55 -7.200 -4.387 -8.998 1.00 0.46 C ATOM 807 C ARG A 55 -8.461 -4.712 -8.210 1.00 0.47 C ATOM 808 O ARG A 55 -9.279 -5.523 -8.649 1.00 0.57 O ATOM 809 CB ARG A 55 -5.983 -5.002 -8.303 1.00 0.50 C ATOM 810 CG ARG A 55 -6.036 -6.518 -8.139 1.00 0.61 C ATOM 811 CD ARG A 55 -4.808 -7.036 -7.399 1.00 0.75 C ATOM 812 NE ARG A 55 -3.554 -6.671 -8.079 1.00 1.28 N ATOM 813 CZ ARG A 55 -2.322 -6.835 -7.577 1.00 1.65 C ATOM 814 NH1 ARG A 55 -2.151 -7.454 -6.407 1.00 1.46 N ATOM 815 NH2 ARG A 55 -1.257 -6.416 -8.262 1.00 2.65 N ATOM 816 H ARG A 55 -6.210 -2.523 -8.798 1.00 0.37 H ATOM 817 HA ARG A 55 -7.285 -4.833 -9.977 1.00 0.51 H ATOM 818 HB2 ARG A 55 -5.100 -4.760 -8.874 1.00 0.54 H ATOM 819 HB3 ARG A 55 -5.894 -4.563 -7.321 1.00 0.52 H ATOM 820 HG2 ARG A 55 -6.918 -6.779 -7.573 1.00 0.74 H ATOM 821 HG3 ARG A 55 -6.083 -6.977 -9.115 1.00 0.63 H ATOM 822 HD2 ARG A 55 -4.798 -6.613 -6.405 1.00 1.34 H ATOM 823 HD3 ARG A 55 -4.869 -8.111 -7.318 1.00 1.29 H ATOM 824 HE ARG A 55 -3.674 -6.269 -8.978 1.00 1.84 H ATOM 825 HH11 ARG A 55 -2.928 -7.814 -5.884 1.00 1.47 H ATOM 826 HH12 ARG A 55 -1.239 -7.591 -5.996 1.00 1.85 H ATOM 827 HH21 ARG A 55 -1.320 -5.963 -9.161 1.00 3.22 H ATOM 828 HH22 ARG A 55 -0.312 -6.539 -7.924 1.00 3.00 H ATOM 829 N TYR A 56 -8.631 -4.070 -7.073 1.00 0.42 N ATOM 830 CA TYR A 56 -9.747 -4.376 -6.190 1.00 0.47 C ATOM 831 C TYR A 56 -10.967 -3.528 -6.500 1.00 0.50 C ATOM 832 O TYR A 56 -12.054 -3.793 -6.011 1.00 0.67 O ATOM 833 CB TYR A 56 -9.327 -4.239 -4.720 1.00 0.52 C ATOM 834 CG TYR A 56 -8.215 -5.192 -4.329 1.00 0.53 C ATOM 835 CD1 TYR A 56 -8.490 -6.494 -3.928 1.00 0.62 C ATOM 836 CD2 TYR A 56 -6.889 -4.778 -4.331 1.00 0.59 C ATOM 837 CE1 TYR A 56 -7.481 -7.350 -3.543 1.00 0.70 C ATOM 838 CE2 TYR A 56 -5.873 -5.633 -3.953 1.00 0.65 C ATOM 839 CZ TYR A 56 -6.176 -6.960 -3.666 1.00 0.67 C ATOM 840 OH TYR A 56 -5.176 -7.769 -3.164 1.00 0.79 O ATOM 841 H TYR A 56 -7.997 -3.366 -6.810 1.00 0.39 H ATOM 842 HA TYR A 56 -10.012 -5.408 -6.370 1.00 0.51 H ATOM 843 HB2 TYR A 56 -8.987 -3.230 -4.536 1.00 0.53 H ATOM 844 HB3 TYR A 56 -10.183 -4.445 -4.093 1.00 0.56 H ATOM 845 HD1 TYR A 56 -9.514 -6.837 -3.919 1.00 0.70 H ATOM 846 HD2 TYR A 56 -6.656 -3.770 -4.642 1.00 0.66 H ATOM 847 HE1 TYR A 56 -7.717 -8.357 -3.231 1.00 0.83 H ATOM 848 HE2 TYR A 56 -4.847 -5.293 -3.961 1.00 0.75 H ATOM 849 HH TYR A 56 -4.594 -7.293 -2.552 1.00 0.95 H ATOM 850 N GLY A 57 -10.776 -2.523 -7.319 1.00 0.41 N ATOM 851 CA GLY A 57 -11.867 -1.674 -7.717 1.00 0.45 C ATOM 852 C GLY A 57 -12.203 -0.639 -6.674 1.00 0.46 C ATOM 853 O GLY A 57 -13.362 -0.510 -6.265 1.00 0.61 O ATOM 854 H GLY A 57 -9.876 -2.342 -7.660 1.00 0.38 H ATOM 855 HA2 GLY A 57 -11.594 -1.170 -8.632 1.00 0.47 H ATOM 856 HA3 GLY A 57 -12.743 -2.281 -7.892 1.00 0.50 H ATOM 857 N VAL A 58 -11.217 0.103 -6.241 1.00 0.38 N ATOM 858 CA VAL A 58 -11.447 1.121 -5.250 1.00 0.42 C ATOM 859 C VAL A 58 -11.052 2.480 -5.799 1.00 0.45 C ATOM 860 O VAL A 58 -10.652 2.592 -6.955 1.00 0.51 O ATOM 861 CB VAL A 58 -10.742 0.845 -3.867 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.894 -0.589 -3.456 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.269 1.244 -3.816 1.00 0.57 C ATOM 864 H VAL A 58 -10.326 -0.017 -6.641 1.00 0.34 H ATOM 865 HA VAL A 58 -12.516 1.146 -5.092 1.00 0.50 H ATOM 866 HB VAL A 58 -11.285 1.446 -3.157 1.00 0.56 H ATOM 867 HG11 VAL A 58 -11.935 -0.875 -3.438 1.00 1.23 H ATOM 868 HG12 VAL A 58 -10.443 -0.725 -2.484 1.00 1.25 H ATOM 869 HG13 VAL A 58 -10.354 -1.167 -4.193 1.00 1.06 H ATOM 870 HG21 VAL A 58 -9.171 2.299 -4.032 1.00 1.05 H ATOM 871 HG22 VAL A 58 -8.697 0.664 -4.524 1.00 1.24 H ATOM 872 HG23 VAL A 58 -8.906 1.054 -2.815 1.00 1.24 H ATOM 873 N SER A 59 -11.189 3.501 -5.008 1.00 0.51 N ATOM 874 CA SER A 59 -10.782 4.831 -5.372 1.00 0.61 C ATOM 875 C SER A 59 -10.395 5.556 -4.102 1.00 0.56 C ATOM 876 O SER A 59 -11.208 5.681 -3.189 1.00 0.63 O ATOM 877 CB SER A 59 -11.924 5.553 -6.104 1.00 0.84 C ATOM 878 OG SER A 59 -12.301 4.815 -7.280 1.00 1.59 O ATOM 879 H SER A 59 -11.580 3.390 -4.119 1.00 0.54 H ATOM 880 HA SER A 59 -9.920 4.761 -6.019 1.00 0.62 H ATOM 881 HB2 SER A 59 -12.780 5.630 -5.449 1.00 1.32 H ATOM 882 HB3 SER A 59 -11.599 6.538 -6.403 1.00 1.36 H ATOM 883 HG SER A 59 -11.747 4.016 -7.275 1.00 2.14 H ATOM 884 N ILE A 60 -9.163 5.945 -4.007 1.00 0.50 N ATOM 885 CA ILE A 60 -8.676 6.615 -2.833 1.00 0.48 C ATOM 886 C ILE A 60 -8.554 8.098 -3.123 1.00 0.53 C ATOM 887 O ILE A 60 -7.718 8.497 -3.934 1.00 0.63 O ATOM 888 CB ILE A 60 -7.287 6.080 -2.413 1.00 0.48 C ATOM 889 CG1 ILE A 60 -7.313 4.554 -2.290 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.868 6.709 -1.082 1.00 0.53 C ATOM 891 CD1 ILE A 60 -5.952 3.937 -2.056 1.00 0.75 C ATOM 892 H ILE A 60 -8.536 5.783 -4.757 1.00 0.50 H ATOM 893 HA ILE A 60 -9.375 6.446 -2.028 1.00 0.59 H ATOM 894 HB ILE A 60 -6.566 6.363 -3.166 1.00 0.50 H ATOM 895 HG12 ILE A 60 -7.948 4.282 -1.460 1.00 1.29 H ATOM 896 HG13 ILE A 60 -7.718 4.135 -3.200 1.00 1.27 H ATOM 897 HG21 ILE A 60 -5.899 6.329 -0.796 1.00 1.01 H ATOM 898 HG22 ILE A 60 -7.594 6.450 -0.325 1.00 1.13 H ATOM 899 HG23 ILE A 60 -6.823 7.781 -1.190 1.00 1.23 H ATOM 900 HD11 ILE A 60 -6.047 2.863 -1.974 1.00 1.11 H ATOM 901 HD12 ILE A 60 -5.533 4.326 -1.139 1.00 1.35 H ATOM 902 HD13 ILE A 60 -5.300 4.182 -2.881 1.00 1.64 H ATOM 903 N PRO A 61 -9.407 8.930 -2.514 1.00 0.65 N ATOM 904 CA PRO A 61 -9.338 10.375 -2.682 1.00 0.77 C ATOM 905 C PRO A 61 -7.966 10.920 -2.272 1.00 0.65 C ATOM 906 O PRO A 61 -7.363 10.452 -1.295 1.00 0.57 O ATOM 907 CB PRO A 61 -10.432 10.902 -1.747 1.00 0.97 C ATOM 908 CG PRO A 61 -11.376 9.764 -1.607 1.00 1.08 C ATOM 909 CD PRO A 61 -10.524 8.533 -1.643 1.00 0.83 C ATOM 910 HA PRO A 61 -9.552 10.659 -3.702 1.00 0.88 H ATOM 911 HB2 PRO A 61 -9.994 11.171 -0.797 1.00 0.93 H ATOM 912 HB3 PRO A 61 -10.906 11.765 -2.191 1.00 1.15 H ATOM 913 HG2 PRO A 61 -11.902 9.832 -0.666 1.00 1.24 H ATOM 914 HG3 PRO A 61 -12.072 9.759 -2.433 1.00 1.25 H ATOM 915 HD2 PRO A 61 -10.175 8.285 -0.652 1.00 0.83 H ATOM 916 HD3 PRO A 61 -11.070 7.708 -2.078 1.00 0.88 H ATOM 917 N ASP A 62 -7.498 11.891 -3.025 1.00 0.74 N ATOM 918 CA ASP A 62 -6.190 12.551 -2.843 1.00 0.73 C ATOM 919 C ASP A 62 -5.985 13.020 -1.382 1.00 0.62 C ATOM 920 O ASP A 62 -4.890 12.894 -0.821 1.00 0.64 O ATOM 921 CB ASP A 62 -6.097 13.733 -3.824 1.00 0.93 C ATOM 922 CG ASP A 62 -4.742 14.407 -3.865 1.00 1.44 C ATOM 923 OD1 ASP A 62 -4.465 15.278 -3.013 1.00 1.92 O ATOM 924 OD2 ASP A 62 -3.952 14.113 -4.786 1.00 2.07 O ATOM 925 H ASP A 62 -8.069 12.176 -3.774 1.00 0.89 H ATOM 926 HA ASP A 62 -5.418 11.836 -3.085 1.00 0.74 H ATOM 927 HB2 ASP A 62 -6.317 13.375 -4.818 1.00 1.42 H ATOM 928 HB3 ASP A 62 -6.839 14.470 -3.552 1.00 1.50 H ATOM 929 N ASP A 63 -7.053 13.524 -0.765 1.00 0.63 N ATOM 930 CA ASP A 63 -7.036 13.922 0.663 1.00 0.61 C ATOM 931 C ASP A 63 -6.769 12.730 1.575 1.00 0.59 C ATOM 932 O ASP A 63 -5.930 12.788 2.472 1.00 0.64 O ATOM 933 CB ASP A 63 -8.365 14.589 1.075 1.00 0.77 C ATOM 934 CG ASP A 63 -8.569 14.627 2.593 1.00 1.36 C ATOM 935 OD1 ASP A 63 -7.965 15.461 3.283 1.00 2.00 O ATOM 936 OD2 ASP A 63 -9.348 13.799 3.114 1.00 2.10 O ATOM 937 H ASP A 63 -7.869 13.646 -1.305 1.00 0.73 H ATOM 938 HA ASP A 63 -6.240 14.640 0.788 1.00 0.64 H ATOM 939 HB2 ASP A 63 -8.382 15.604 0.701 1.00 1.22 H ATOM 940 HB3 ASP A 63 -9.186 14.043 0.634 1.00 1.43 H ATOM 941 N VAL A 64 -7.439 11.630 1.297 1.00 0.62 N ATOM 942 CA VAL A 64 -7.366 10.429 2.128 1.00 0.69 C ATOM 943 C VAL A 64 -6.002 9.741 1.963 1.00 0.67 C ATOM 944 O VAL A 64 -5.539 9.007 2.838 1.00 0.78 O ATOM 945 CB VAL A 64 -8.533 9.445 1.798 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.542 8.238 2.712 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.867 10.163 1.876 1.00 0.90 C ATOM 948 H VAL A 64 -7.989 11.617 0.485 1.00 0.65 H ATOM 949 HA VAL A 64 -7.458 10.746 3.159 1.00 0.75 H ATOM 950 HB VAL A 64 -8.403 9.098 0.783 1.00 0.81 H ATOM 951 HG11 VAL A 64 -8.661 8.568 3.733 1.00 1.47 H ATOM 952 HG12 VAL A 64 -7.615 7.694 2.604 1.00 1.46 H ATOM 953 HG13 VAL A 64 -9.365 7.592 2.442 1.00 1.30 H ATOM 954 HG21 VAL A 64 -9.886 10.975 1.164 1.00 1.40 H ATOM 955 HG22 VAL A 64 -10.008 10.553 2.873 1.00 1.21 H ATOM 956 HG23 VAL A 64 -10.663 9.470 1.650 1.00 1.47 H ATOM 957 N ALA A 65 -5.343 10.052 0.865 1.00 0.61 N ATOM 958 CA ALA A 65 -4.018 9.546 0.575 1.00 0.67 C ATOM 959 C ALA A 65 -3.005 10.094 1.563 1.00 0.64 C ATOM 960 O ALA A 65 -2.098 9.394 1.989 1.00 0.74 O ATOM 961 CB ALA A 65 -3.620 9.921 -0.834 1.00 0.77 C ATOM 962 H ALA A 65 -5.786 10.639 0.214 1.00 0.61 H ATOM 963 HA ALA A 65 -4.019 8.469 0.655 1.00 0.76 H ATOM 964 HB1 ALA A 65 -3.588 10.995 -0.932 1.00 1.31 H ATOM 965 HB2 ALA A 65 -4.341 9.517 -1.528 1.00 1.30 H ATOM 966 HB3 ALA A 65 -2.648 9.506 -1.054 1.00 1.19 H ATOM 967 N GLY A 66 -3.209 11.327 1.988 1.00 0.58 N ATOM 968 CA GLY A 66 -2.278 11.960 2.896 1.00 0.66 C ATOM 969 C GLY A 66 -2.635 11.705 4.343 1.00 0.68 C ATOM 970 O GLY A 66 -2.234 12.457 5.237 1.00 0.86 O ATOM 971 H GLY A 66 -4.015 11.806 1.698 1.00 0.56 H ATOM 972 HA2 GLY A 66 -1.288 11.573 2.708 1.00 0.71 H ATOM 973 HA3 GLY A 66 -2.277 13.025 2.714 1.00 0.76 H ATOM 974 N ARG A 67 -3.387 10.651 4.581 1.00 0.64 N ATOM 975 CA ARG A 67 -3.818 10.321 5.920 1.00 0.79 C ATOM 976 C ARG A 67 -3.079 9.107 6.477 1.00 0.77 C ATOM 977 O ARG A 67 -3.320 8.691 7.620 1.00 0.95 O ATOM 978 CB ARG A 67 -5.331 10.119 5.984 1.00 0.94 C ATOM 979 CG ARG A 67 -6.129 11.350 5.588 1.00 1.12 C ATOM 980 CD ARG A 67 -7.608 11.130 5.790 1.00 1.40 C ATOM 981 NE ARG A 67 -8.398 12.303 5.405 1.00 1.89 N ATOM 982 CZ ARG A 67 -9.160 13.018 6.231 1.00 2.51 C ATOM 983 NH1 ARG A 67 -9.130 12.802 7.541 1.00 2.93 N ATOM 984 NH2 ARG A 67 -9.906 13.985 5.742 1.00 3.22 N ATOM 985 H ARG A 67 -3.656 10.091 3.821 1.00 0.62 H ATOM 986 HA ARG A 67 -3.564 11.168 6.540 1.00 0.90 H ATOM 987 HB2 ARG A 67 -5.603 9.313 5.319 1.00 1.03 H ATOM 988 HB3 ARG A 67 -5.599 9.850 6.995 1.00 1.14 H ATOM 989 HG2 ARG A 67 -5.810 12.191 6.188 1.00 1.53 H ATOM 990 HG3 ARG A 67 -5.945 11.566 4.546 1.00 1.58 H ATOM 991 HD2 ARG A 67 -7.915 10.284 5.194 1.00 1.87 H ATOM 992 HD3 ARG A 67 -7.779 10.913 6.833 1.00 1.90 H ATOM 993 HE ARG A 67 -8.395 12.559 4.451 1.00 2.27 H ATOM 994 HH11 ARG A 67 -8.541 12.112 7.980 1.00 2.92 H ATOM 995 HH12 ARG A 67 -9.713 13.328 8.173 1.00 3.61 H ATOM 996 HH21 ARG A 67 -9.878 14.154 4.743 1.00 3.51 H ATOM 997 HH22 ARG A 67 -10.488 14.578 6.305 1.00 3.77 H ATOM 998 N VAL A 68 -2.175 8.556 5.694 1.00 0.62 N ATOM 999 CA VAL A 68 -1.399 7.414 6.144 1.00 0.66 C ATOM 1000 C VAL A 68 -0.032 7.850 6.671 1.00 0.67 C ATOM 1001 O VAL A 68 0.274 9.050 6.685 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.241 6.310 5.058 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.581 5.671 4.750 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.625 6.880 3.779 1.00 0.64 C ATOM 1005 H VAL A 68 -1.996 8.944 4.812 1.00 0.55 H ATOM 1006 HA VAL A 68 -1.951 6.999 6.976 1.00 0.78 H ATOM 1007 HB VAL A 68 -0.588 5.541 5.443 1.00 0.78 H ATOM 1008 HG11 VAL A 68 -2.447 4.908 3.998 1.00 1.27 H ATOM 1009 HG12 VAL A 68 -3.273 6.418 4.387 1.00 1.31 H ATOM 1010 HG13 VAL A 68 -2.975 5.217 5.647 1.00 1.26 H ATOM 1011 HG21 VAL A 68 -1.273 7.641 3.368 1.00 1.20 H ATOM 1012 HG22 VAL A 68 -0.510 6.083 3.060 1.00 1.23 H ATOM 1013 HG23 VAL A 68 0.340 7.305 4.003 1.00 1.15 H ATOM 1014 N ASP A 69 0.773 6.893 7.082 1.00 0.54 N ATOM 1015 CA ASP A 69 2.133 7.144 7.573 1.00 0.64 C ATOM 1016 C ASP A 69 2.894 5.840 7.550 1.00 0.50 C ATOM 1017 O ASP A 69 4.056 5.778 7.144 1.00 0.54 O ATOM 1018 CB ASP A 69 2.114 7.724 8.999 1.00 0.99 C ATOM 1019 CG ASP A 69 3.488 8.034 9.545 1.00 1.11 C ATOM 1020 OD1 ASP A 69 4.104 9.043 9.122 1.00 1.37 O ATOM 1021 OD2 ASP A 69 3.997 7.243 10.369 1.00 1.84 O ATOM 1022 H ASP A 69 0.461 5.964 7.087 1.00 0.66 H ATOM 1023 HA ASP A 69 2.606 7.843 6.899 1.00 0.75 H ATOM 1024 HB2 ASP A 69 1.561 8.652 9.009 1.00 1.65 H ATOM 1025 HB3 ASP A 69 1.643 7.015 9.663 1.00 1.55 H ATOM 1026 N THR A 70 2.229 4.796 7.991 1.00 0.43 N ATOM 1027 CA THR A 70 2.754 3.459 7.949 1.00 0.37 C ATOM 1028 C THR A 70 1.868 2.567 7.054 1.00 0.33 C ATOM 1029 O THR A 70 0.676 2.875 6.829 1.00 0.34 O ATOM 1030 CB THR A 70 2.819 2.838 9.369 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.522 2.861 9.983 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.815 3.572 10.246 1.00 0.44 C ATOM 1033 H THR A 70 1.352 4.939 8.424 1.00 0.50 H ATOM 1034 HA THR A 70 3.753 3.500 7.541 1.00 0.40 H ATOM 1035 HB THR A 70 3.131 1.809 9.268 1.00 0.46 H ATOM 1036 HG1 THR A 70 1.149 3.758 9.922 1.00 0.52 H ATOM 1037 HG21 THR A 70 4.795 3.511 9.797 1.00 1.19 H ATOM 1038 HG22 THR A 70 3.834 3.119 11.226 1.00 1.03 H ATOM 1039 HG23 THR A 70 3.522 4.609 10.330 1.00 1.11 H ATOM 1040 N PRO A 71 2.431 1.465 6.511 1.00 0.32 N ATOM 1041 CA PRO A 71 1.688 0.482 5.694 1.00 0.31 C ATOM 1042 C PRO A 71 0.516 -0.163 6.443 1.00 0.29 C ATOM 1043 O PRO A 71 -0.419 -0.667 5.828 1.00 0.33 O ATOM 1044 CB PRO A 71 2.745 -0.584 5.403 1.00 0.34 C ATOM 1045 CG PRO A 71 4.025 0.157 5.449 1.00 0.38 C ATOM 1046 CD PRO A 71 3.863 1.118 6.579 1.00 0.36 C ATOM 1047 HA PRO A 71 1.340 0.906 4.765 1.00 0.35 H ATOM 1048 HB2 PRO A 71 2.705 -1.339 6.179 1.00 0.33 H ATOM 1049 HB3 PRO A 71 2.573 -1.024 4.432 1.00 0.41 H ATOM 1050 HG2 PRO A 71 4.846 -0.519 5.634 1.00 0.40 H ATOM 1051 HG3 PRO A 71 4.179 0.690 4.525 1.00 0.43 H ATOM 1052 HD2 PRO A 71 4.110 0.642 7.517 1.00 0.36 H ATOM 1053 HD3 PRO A 71 4.476 1.993 6.426 1.00 0.41 H ATOM 1054 N ARG A 72 0.571 -0.134 7.764 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.462 -0.741 8.604 1.00 0.34 C ATOM 1056 C ARG A 72 -1.764 0.020 8.426 1.00 0.36 C ATOM 1057 O ARG A 72 -2.842 -0.573 8.282 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.010 -0.698 10.061 1.00 0.41 C ATOM 1059 CG ARG A 72 -0.827 -1.534 11.023 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.201 -1.499 12.409 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.284 -0.171 13.041 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.756 0.620 13.387 1.00 0.98 C ATOM 1063 NH1 ARG A 72 1.991 0.395 12.916 1.00 1.38 N ATOM 1064 NH2 ARG A 72 0.531 1.684 14.135 1.00 1.16 N ATOM 1065 H ARG A 72 1.334 0.323 8.178 1.00 0.31 H ATOM 1066 HA ARG A 72 -0.596 -1.769 8.298 1.00 0.37 H ATOM 1067 HB2 ARG A 72 1.012 -1.038 10.118 1.00 0.47 H ATOM 1068 HB3 ARG A 72 -0.048 0.326 10.400 1.00 0.43 H ATOM 1069 HG2 ARG A 72 -1.832 -1.139 11.074 1.00 0.56 H ATOM 1070 HG3 ARG A 72 -0.842 -2.554 10.664 1.00 0.63 H ATOM 1071 HD2 ARG A 72 -0.715 -2.212 13.035 1.00 0.82 H ATOM 1072 HD3 ARG A 72 0.836 -1.786 12.328 1.00 0.79 H ATOM 1073 HE ARG A 72 -1.196 0.110 13.309 1.00 0.96 H ATOM 1074 HH11 ARG A 72 2.197 -0.358 12.288 1.00 1.51 H ATOM 1075 HH12 ARG A 72 2.775 0.986 13.157 1.00 1.75 H ATOM 1076 HH21 ARG A 72 -0.402 1.915 14.437 1.00 1.26 H ATOM 1077 HH22 ARG A 72 1.275 2.276 14.460 1.00 1.42 H ATOM 1078 N GLU A 73 -1.636 1.328 8.384 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.754 2.228 8.203 1.00 0.42 C ATOM 1080 C GLU A 73 -3.240 2.142 6.768 1.00 0.40 C ATOM 1081 O GLU A 73 -4.428 2.194 6.510 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.294 3.640 8.524 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.750 3.771 9.929 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.957 5.021 10.124 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.123 5.158 9.534 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -1.440 5.905 10.838 1.00 1.33 O ATOM 1087 H GLU A 73 -0.742 1.722 8.483 1.00 0.36 H ATOM 1088 HA GLU A 73 -3.544 1.948 8.883 1.00 0.45 H ATOM 1089 HB2 GLU A 73 -1.521 3.920 7.823 1.00 0.50 H ATOM 1090 HB3 GLU A 73 -3.130 4.318 8.421 1.00 0.58 H ATOM 1091 HG2 GLU A 73 -2.580 3.780 10.620 1.00 1.01 H ATOM 1092 HG3 GLU A 73 -1.121 2.917 10.133 1.00 0.99 H ATOM 1093 N LEU A 74 -2.294 1.981 5.836 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.612 1.842 4.411 1.00 0.43 C ATOM 1095 C LEU A 74 -3.481 0.584 4.224 1.00 0.41 C ATOM 1096 O LEU A 74 -4.545 0.637 3.591 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.288 1.743 3.591 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.342 2.041 2.058 1.00 0.50 C ATOM 1099 CD1 LEU A 74 0.044 1.960 1.449 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.278 1.113 1.311 1.00 1.10 C ATOM 1101 H LEU A 74 -1.358 1.970 6.128 1.00 0.42 H ATOM 1102 HA LEU A 74 -3.176 2.704 4.084 1.00 0.46 H ATOM 1103 HB2 LEU A 74 -0.576 2.430 4.025 1.00 0.46 H ATOM 1104 HB3 LEU A 74 -0.898 0.745 3.728 1.00 0.45 H ATOM 1105 HG LEU A 74 -1.683 3.058 1.928 1.00 0.90 H ATOM 1106 HD11 LEU A 74 0.688 2.691 1.914 1.00 1.74 H ATOM 1107 HD12 LEU A 74 -0.014 2.160 0.389 1.00 1.51 H ATOM 1108 HD13 LEU A 74 0.442 0.971 1.621 1.00 1.48 H ATOM 1109 HD21 LEU A 74 -2.301 1.376 0.264 1.00 1.61 H ATOM 1110 HD22 LEU A 74 -3.266 1.214 1.740 1.00 1.53 H ATOM 1111 HD23 LEU A 74 -1.942 0.092 1.429 1.00 1.77 H ATOM 1112 N LEU A 75 -3.033 -0.529 4.816 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.746 -1.805 4.754 1.00 0.41 C ATOM 1114 C LEU A 75 -5.174 -1.636 5.276 1.00 0.39 C ATOM 1115 O LEU A 75 -6.145 -2.018 4.602 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.015 -2.864 5.603 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.594 -4.292 5.579 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.392 -4.945 4.218 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -2.974 -5.138 6.677 1.00 0.54 C ATOM 1120 H LEU A 75 -2.180 -0.490 5.304 1.00 0.44 H ATOM 1121 HA LEU A 75 -3.771 -2.133 3.726 1.00 0.43 H ATOM 1122 HB2 LEU A 75 -1.992 -2.911 5.263 1.00 0.49 H ATOM 1123 HB3 LEU A 75 -3.012 -2.522 6.628 1.00 0.48 H ATOM 1124 HG LEU A 75 -4.658 -4.234 5.758 1.00 0.46 H ATOM 1125 HD11 LEU A 75 -3.847 -4.338 3.449 1.00 1.20 H ATOM 1126 HD12 LEU A 75 -3.851 -5.923 4.224 1.00 1.09 H ATOM 1127 HD13 LEU A 75 -2.334 -5.047 4.026 1.00 1.04 H ATOM 1128 HD21 LEU A 75 -1.907 -5.202 6.525 1.00 1.17 H ATOM 1129 HD22 LEU A 75 -3.402 -6.129 6.646 1.00 1.16 H ATOM 1130 HD23 LEU A 75 -3.179 -4.687 7.637 1.00 1.11 H ATOM 1131 N ASP A 76 -5.287 -1.006 6.442 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.575 -0.798 7.105 1.00 0.48 C ATOM 1133 C ASP A 76 -7.486 0.089 6.284 1.00 0.40 C ATOM 1134 O ASP A 76 -8.665 -0.214 6.112 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.386 -0.197 8.495 1.00 0.66 C ATOM 1136 CG ASP A 76 -7.703 0.011 9.216 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.310 -0.974 9.653 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -8.149 1.181 9.355 1.00 1.89 O ATOM 1139 H ASP A 76 -4.474 -0.661 6.871 1.00 0.49 H ATOM 1140 HA ASP A 76 -7.040 -1.767 7.213 1.00 0.53 H ATOM 1141 HB2 ASP A 76 -5.768 -0.858 9.082 1.00 1.10 H ATOM 1142 HB3 ASP A 76 -5.890 0.758 8.400 1.00 1.09 H ATOM 1143 N LEU A 77 -6.921 1.162 5.753 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.642 2.120 4.933 1.00 0.38 C ATOM 1145 C LEU A 77 -8.300 1.427 3.736 1.00 0.33 C ATOM 1146 O LEU A 77 -9.485 1.643 3.454 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.677 3.213 4.449 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.290 4.361 3.663 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.262 5.120 4.536 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -6.196 5.283 3.138 1.00 1.24 C ATOM 1151 H LEU A 77 -5.973 1.341 5.942 1.00 0.40 H ATOM 1152 HA LEU A 77 -8.405 2.578 5.545 1.00 0.45 H ATOM 1153 HB2 LEU A 77 -6.185 3.631 5.313 1.00 0.58 H ATOM 1154 HB3 LEU A 77 -5.930 2.750 3.826 1.00 0.49 H ATOM 1155 HG LEU A 77 -7.834 3.962 2.821 1.00 1.09 H ATOM 1156 HD11 LEU A 77 -9.052 4.452 4.845 1.00 1.82 H ATOM 1157 HD12 LEU A 77 -8.667 5.963 3.995 1.00 1.74 H ATOM 1158 HD13 LEU A 77 -7.728 5.466 5.407 1.00 2.11 H ATOM 1159 HD21 LEU A 77 -5.634 5.679 3.970 1.00 1.84 H ATOM 1160 HD22 LEU A 77 -6.645 6.096 2.588 1.00 1.74 H ATOM 1161 HD23 LEU A 77 -5.532 4.730 2.488 1.00 1.79 H ATOM 1162 N ILE A 78 -7.540 0.559 3.072 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.050 -0.174 1.927 1.00 0.32 C ATOM 1164 C ILE A 78 -9.133 -1.128 2.401 1.00 0.29 C ATOM 1165 O ILE A 78 -10.252 -1.094 1.900 1.00 0.33 O ATOM 1166 CB ILE A 78 -6.935 -0.994 1.205 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -5.791 -0.085 0.734 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.518 -1.749 0.009 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -6.200 0.968 -0.276 1.00 0.63 C ATOM 1170 H ILE A 78 -6.621 0.409 3.389 1.00 0.33 H ATOM 1171 HA ILE A 78 -8.475 0.539 1.234 1.00 0.39 H ATOM 1172 HB ILE A 78 -6.543 -1.721 1.899 1.00 0.40 H ATOM 1173 HG12 ILE A 78 -5.378 0.425 1.591 1.00 1.11 H ATOM 1174 HG13 ILE A 78 -5.025 -0.699 0.285 1.00 1.01 H ATOM 1175 HG21 ILE A 78 -6.729 -2.296 -0.485 1.00 1.18 H ATOM 1176 HG22 ILE A 78 -7.948 -1.041 -0.682 1.00 0.99 H ATOM 1177 HG23 ILE A 78 -8.280 -2.435 0.349 1.00 1.11 H ATOM 1178 HD11 ILE A 78 -6.966 1.595 0.154 1.00 1.29 H ATOM 1179 HD12 ILE A 78 -6.584 0.482 -1.162 1.00 1.27 H ATOM 1180 HD13 ILE A 78 -5.348 1.574 -0.546 1.00 1.30 H ATOM 1181 N ASN A 79 -8.785 -1.952 3.397 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.701 -2.959 3.969 1.00 0.33 C ATOM 1183 C ASN A 79 -11.033 -2.340 4.380 1.00 0.37 C ATOM 1184 O ASN A 79 -12.107 -2.911 4.126 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.062 -3.671 5.185 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.020 -4.756 4.851 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.844 -5.699 5.601 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -7.334 -4.648 3.742 1.00 0.55 N ATOM 1189 H ASN A 79 -7.888 -1.849 3.793 1.00 0.32 H ATOM 1190 HA ASN A 79 -9.896 -3.695 3.203 1.00 0.39 H ATOM 1191 HB2 ASN A 79 -8.573 -2.928 5.795 1.00 0.48 H ATOM 1192 HB3 ASN A 79 -9.854 -4.113 5.768 1.00 0.47 H ATOM 1193 HD21 ASN A 79 -7.488 -3.885 3.146 1.00 1.07 H ATOM 1194 HD22 ASN A 79 -6.670 -5.349 3.560 1.00 0.51 H ATOM 1195 N GLY A 80 -10.958 -1.176 4.991 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.131 -0.472 5.418 1.00 0.46 C ATOM 1197 C GLY A 80 -12.955 0.071 4.266 1.00 0.47 C ATOM 1198 O GLY A 80 -14.178 -0.115 4.236 1.00 0.57 O ATOM 1199 H GLY A 80 -10.074 -0.792 5.192 1.00 0.36 H ATOM 1200 HA2 GLY A 80 -12.746 -1.142 6.001 1.00 0.53 H ATOM 1201 HA3 GLY A 80 -11.826 0.354 6.045 1.00 0.49 H ATOM 1202 N ALA A 81 -12.311 0.712 3.301 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.023 1.335 2.193 1.00 0.49 C ATOM 1204 C ALA A 81 -13.647 0.293 1.256 1.00 0.54 C ATOM 1205 O ALA A 81 -14.707 0.539 0.663 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.108 2.286 1.447 1.00 0.49 C ATOM 1207 H ALA A 81 -11.327 0.773 3.310 1.00 0.39 H ATOM 1208 HA ALA A 81 -13.831 1.909 2.624 1.00 0.55 H ATOM 1209 HB1 ALA A 81 -11.296 1.732 1.001 1.00 1.19 H ATOM 1210 HB2 ALA A 81 -11.715 3.002 2.155 1.00 1.14 H ATOM 1211 HB3 ALA A 81 -12.669 2.807 0.687 1.00 1.01 H ATOM 1212 N LEU A 82 -13.004 -0.880 1.166 1.00 0.48 N ATOM 1213 CA LEU A 82 -13.478 -2.023 0.360 1.00 0.57 C ATOM 1214 C LEU A 82 -14.934 -2.366 0.659 1.00 0.70 C ATOM 1215 O LEU A 82 -15.738 -2.549 -0.242 1.00 0.87 O ATOM 1216 CB LEU A 82 -12.614 -3.261 0.658 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.214 -3.291 0.065 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -10.409 -4.404 0.706 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -11.289 -3.507 -1.435 1.00 0.63 C ATOM 1220 H LEU A 82 -12.153 -0.973 1.651 1.00 0.42 H ATOM 1221 HA LEU A 82 -13.369 -1.778 -0.686 1.00 0.62 H ATOM 1222 HB2 LEU A 82 -12.507 -3.328 1.731 1.00 0.56 H ATOM 1223 HB3 LEU A 82 -13.140 -4.145 0.327 1.00 0.59 H ATOM 1224 HG LEU A 82 -10.726 -2.346 0.252 1.00 0.57 H ATOM 1225 HD11 LEU A 82 -9.421 -4.431 0.271 1.00 1.16 H ATOM 1226 HD12 LEU A 82 -10.900 -5.352 0.541 1.00 1.10 H ATOM 1227 HD13 LEU A 82 -10.329 -4.221 1.767 1.00 1.22 H ATOM 1228 HD21 LEU A 82 -11.788 -4.444 -1.638 1.00 1.12 H ATOM 1229 HD22 LEU A 82 -10.290 -3.536 -1.846 1.00 1.26 H ATOM 1230 HD23 LEU A 82 -11.845 -2.699 -1.888 1.00 1.22 H ATOM 1231 N ALA A 83 -15.265 -2.407 1.934 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.594 -2.817 2.375 1.00 0.87 C ATOM 1233 C ALA A 83 -17.652 -1.768 2.076 1.00 1.01 C ATOM 1234 O ALA A 83 -18.822 -2.086 1.905 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.575 -3.127 3.852 1.00 0.90 C ATOM 1236 H ALA A 83 -14.596 -2.151 2.602 1.00 0.62 H ATOM 1237 HA ALA A 83 -16.851 -3.726 1.850 1.00 0.97 H ATOM 1238 HB1 ALA A 83 -17.537 -3.514 4.152 1.00 1.39 H ATOM 1239 HB2 ALA A 83 -16.363 -2.225 4.405 1.00 1.30 H ATOM 1240 HB3 ALA A 83 -15.813 -3.862 4.058 1.00 1.25 H ATOM 1241 N GLU A 84 -17.240 -0.535 1.977 1.00 0.95 N ATOM 1242 CA GLU A 84 -18.171 0.546 1.756 1.00 1.11 C ATOM 1243 C GLU A 84 -18.484 0.696 0.259 1.00 1.18 C ATOM 1244 O GLU A 84 -19.524 1.250 -0.127 1.00 1.36 O ATOM 1245 CB GLU A 84 -17.595 1.826 2.355 1.00 1.15 C ATOM 1246 CG GLU A 84 -18.497 3.035 2.275 1.00 1.57 C ATOM 1247 CD GLU A 84 -17.905 4.200 2.989 1.00 1.76 C ATOM 1248 OE1 GLU A 84 -16.899 4.752 2.504 1.00 1.86 O ATOM 1249 OE2 GLU A 84 -18.400 4.560 4.072 1.00 2.49 O ATOM 1250 H GLU A 84 -16.283 -0.336 2.045 1.00 0.84 H ATOM 1251 HA GLU A 84 -19.086 0.300 2.272 1.00 1.28 H ATOM 1252 HB2 GLU A 84 -17.377 1.650 3.398 1.00 1.60 H ATOM 1253 HB3 GLU A 84 -16.673 2.059 1.842 1.00 1.38 H ATOM 1254 HG2 GLU A 84 -18.640 3.298 1.237 1.00 2.14 H ATOM 1255 HG3 GLU A 84 -19.452 2.799 2.725 1.00 2.20 H ATOM 1256 N ALA A 85 -17.601 0.157 -0.573 1.00 1.15 N ATOM 1257 CA ALA A 85 -17.772 0.198 -2.019 1.00 1.34 C ATOM 1258 C ALA A 85 -18.945 -0.685 -2.444 1.00 1.47 C ATOM 1259 O ALA A 85 -19.607 -0.398 -3.444 1.00 1.86 O ATOM 1260 CB ALA A 85 -16.497 -0.238 -2.718 1.00 1.37 C ATOM 1261 H ALA A 85 -16.810 -0.284 -0.200 1.00 1.07 H ATOM 1262 HA ALA A 85 -17.985 1.221 -2.296 1.00 1.54 H ATOM 1263 HB1 ALA A 85 -16.631 -0.163 -3.787 1.00 1.61 H ATOM 1264 HB2 ALA A 85 -16.282 -1.263 -2.452 1.00 1.71 H ATOM 1265 HB3 ALA A 85 -15.682 0.401 -2.410 1.00 1.82 H ATOM 1266 N ALA A 86 -19.191 -1.734 -1.650 1.00 1.53 N ATOM 1267 CA ALA A 86 -20.268 -2.701 -1.861 1.00 1.70 C ATOM 1268 C ALA A 86 -20.107 -3.432 -3.186 1.00 2.36 C ATOM 1269 O ALA A 86 -20.638 -2.966 -4.223 1.00 2.86 O ATOM 1270 CB ALA A 86 -21.653 -2.050 -1.735 1.00 2.39 C ATOM 1271 OXT ALA A 86 -19.439 -4.479 -3.211 1.00 3.03 O ATOM 1272 H ALA A 86 -18.600 -1.865 -0.882 1.00 1.73 H ATOM 1273 HA ALA A 86 -20.166 -3.433 -1.072 1.00 1.65 H ATOM 1274 HB1 ALA A 86 -21.788 -1.338 -2.534 1.00 2.96 H ATOM 1275 HB2 ALA A 86 -21.725 -1.544 -0.783 1.00 2.75 H ATOM 1276 HB3 ALA A 86 -22.416 -2.813 -1.798 1.00 2.71 H TER 1277 ALA A 86 HETATM 1278 P24 SXR A 101 7.679 11.410 -4.753 1.00 1.19 P HETATM 1279 O26 SXR A 101 8.340 10.143 -5.362 1.00 1.72 O HETATM 1280 O23 SXR A 101 8.567 12.672 -4.587 1.00 1.83 O HETATM 1281 O27 SXR A 101 6.498 11.848 -5.689 1.00 1.31 O HETATM 1282 C28 SXR A 101 5.513 10.871 -6.210 1.00 1.24 C HETATM 1283 C29 SXR A 101 4.471 11.544 -7.114 1.00 1.82 C HETATM 1284 C30 SXR A 101 3.524 10.445 -7.543 1.00 2.42 C HETATM 1285 C31 SXR A 101 3.702 12.610 -6.318 1.00 1.85 C HETATM 1286 C32 SXR A 101 5.165 12.215 -8.406 1.00 2.74 C HETATM 1287 O33 SXR A 101 6.113 13.203 -8.018 1.00 3.00 O HETATM 1288 C34 SXR A 101 4.130 12.944 -9.276 1.00 3.44 C HETATM 1289 O35 SXR A 101 3.969 14.162 -9.141 1.00 3.88 O HETATM 1290 N36 SXR A 101 3.469 12.230 -10.151 1.00 3.90 N HETATM 1291 C37 SXR A 101 2.437 12.746 -11.062 1.00 4.60 C HETATM 1292 C38 SXR A 101 1.361 11.686 -11.347 1.00 4.73 C HETATM 1293 C39 SXR A 101 0.715 11.121 -10.074 1.00 4.02 C HETATM 1294 O40 SXR A 101 0.439 9.912 -9.975 1.00 4.42 O HETATM 1295 N41 SXR A 101 0.531 12.008 -9.091 1.00 3.33 N HETATM 1296 C42 SXR A 101 -0.022 11.694 -7.778 1.00 2.88 C HETATM 1297 C43 SXR A 101 -1.432 12.233 -7.580 1.00 2.85 C HETATM 1298 S1 SXR A 101 -2.566 11.335 -8.546 1.00 3.15 S HETATM 1299 C11 SXR A 101 -3.292 6.160 -1.303 1.00 2.09 C HETATM 1300 C10 SXR A 101 -2.519 5.993 -0.152 1.00 2.05 C HETATM 1301 C9 SXR A 101 -1.242 6.543 -0.090 1.00 1.91 C HETATM 1302 C8 SXR A 101 -0.741 7.260 -1.178 1.00 2.19 C HETATM 1303 C7 SXR A 101 -1.517 7.425 -2.325 1.00 2.18 C HETATM 1304 C6 SXR A 101 -2.809 6.876 -2.403 1.00 1.95 C HETATM 1305 C5 SXR A 101 -3.655 7.050 -3.641 1.00 2.57 C HETATM 1306 C4 SXR A 101 -3.569 8.442 -4.226 1.00 2.29 C HETATM 1307 C3 SXR A 101 -2.833 8.549 -5.551 1.00 2.88 C HETATM 1308 O3 SXR A 101 -2.174 7.587 -5.995 1.00 3.69 O HETATM 1309 C2 SXR A 101 -2.914 9.846 -6.322 1.00 2.88 C HETATM 1310 C1 SXR A 101 -2.430 9.788 -7.757 1.00 2.84 C HETATM 1311 H28A SXR A 101 6.052 10.158 -6.817 1.00 1.41 H HETATM 1312 H28B SXR A 101 5.035 10.317 -5.410 1.00 0.99 H HETATM 1313 H30A SXR A 101 3.919 9.946 -8.416 1.00 2.99 H HETATM 1314 H30B SXR A 101 2.561 10.874 -7.778 1.00 2.62 H HETATM 1315 H30C SXR A 101 3.415 9.733 -6.738 1.00 2.79 H HETATM 1316 H31A SXR A 101 4.073 12.638 -5.303 1.00 2.21 H HETATM 1317 H31B SXR A 101 2.651 12.365 -6.315 1.00 2.37 H HETATM 1318 H31C SXR A 101 3.847 13.572 -6.787 1.00 1.95 H HETATM 1319 H32A SXR A 101 5.653 11.452 -8.995 1.00 3.10 H HETATM 1320 H33A SXR A 101 5.744 13.973 -8.478 1.00 3.40 H HETATM 1321 H36A SXR A 101 3.672 11.266 -10.209 1.00 3.96 H HETATM 1322 H37A SXR A 101 1.962 13.598 -10.597 1.00 4.70 H HETATM 1323 H37B SXR A 101 2.903 13.046 -11.990 1.00 5.21 H HETATM 1324 H38A SXR A 101 0.592 12.113 -11.975 1.00 5.22 H HETATM 1325 H38B SXR A 101 1.829 10.870 -11.881 1.00 5.25 H HETATM 1326 H41A SXR A 101 0.808 12.940 -9.241 1.00 3.43 H HETATM 1327 H42A SXR A 101 0.000 10.630 -7.605 1.00 3.18 H HETATM 1328 H42B SXR A 101 0.607 12.163 -7.036 1.00 2.75 H HETATM 1329 H43A SXR A 101 -1.471 13.280 -7.840 1.00 3.20 H HETATM 1330 H43B SXR A 101 -1.696 12.111 -6.540 1.00 2.98 H HETATM 1331 H11A SXR A 101 -4.282 5.731 -1.350 1.00 2.81 H HETATM 1332 H10A SXR A 101 -2.909 5.437 0.687 1.00 2.73 H HETATM 1333 H9A SXR A 101 -0.641 6.417 0.797 1.00 2.32 H HETATM 1334 H8A SXR A 101 0.248 7.690 -1.135 1.00 2.94 H HETATM 1335 H7A SXR A 101 -1.125 7.982 -3.164 1.00 2.89 H HETATM 1336 H5A SXR A 101 -4.022 6.277 -4.290 1.00 3.45 H HETATM 1337 H5B SXR A 101 -4.551 6.933 -3.034 1.00 2.83 H HETATM 1338 H4A SXR A 101 -4.117 9.314 -3.913 1.00 2.15 H HETATM 1339 H4B SXR A 101 -2.833 8.692 -3.466 1.00 2.47 H HETATM 1340 H2A SXR A 101 -3.562 10.671 -6.090 1.00 3.20 H HETATM 1341 H2B SXR A 101 -2.179 10.323 -5.677 1.00 3.39 H HETATM 1342 H1A SXR A 101 -1.805 9.049 -8.225 1.00 3.11 H HETATM 1343 H1B SXR A 101 -3.307 9.196 -8.011 1.00 2.74 H